N-Methylnicotinamide - ≥98%(GC)(T) , CAS No.114-33-0

CAS: 114-33-0 Cat. No.: N159805 Summenformel: C₇H₈N₂O Molekulargewicht: 136.15 Beilstein Registry Number: 22,40 EG-Nummer: 204-046-4

GRADE & PURITY ≥98%(GC)(T)

Synonyms

DB08840 | N-Methyl-3-pyridinecarboxamide | NSC66521 | NSC-66521 | 3-(Methylcarbamoyl)pyridine | HY-124124 | N-methyl nicotinamide | DTXSID00870467 | M0374 | s3321 | Q744041 | UNII-X3I82S5L8I | J-800112 | N-Methylnicotinamide | N-Methyl-nicotinamide | N-me

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Übersicht

N-Methylnicotinamide is an endogenous metabolite.

Specifications

Synonyme

DB08840 | N-Methyl-3-pyridinecarboxamide | NSC66521 | NSC-66521 | 3-(Methylcarbamoyl)pyridine | HY-124124 | N-methyl nicotinamide | DTXSID00870467 | M0374 | s3321 | Q744041 | UNII-X3I82S5L8I | J-800112 | N-Methylnicotinamide | N-Methyl-nicotinamide | N-me

Spezifikationen & Reinheit

≥98%(GC)(T)

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥98%(GC)(T)

Namen und Kennungen

• Pubchem Sid: 488183647
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183647
• Kanonisches Lächeln: CNC(=O)C1=CN=CC=C1
• IUPAC Name: N-methylpyridine-3-carboxamide
• InChIKey: ZYVXHFWBYUDDBM-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
• Isomere SMILES: CNC(=O)C1=CN=CC=C1
• Molekulargewicht: 136.15
• Beilstein: 22,40
• Reaxy-Rn: 2875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Ebene5 Pyridinecarboxamides
          • Ebene6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
• External Descriptors: pyridinecarboxamide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

SLC22A1 Tchem Solute carrier family 22 member 1 (646 Activities)

Discover Target: SLC22A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC22A2 Tchem Solute carrier family 22 member 2 (261 Activities)

Discover Target: SLC22A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

Discover Target: SLCO2B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc22a5 Solute carrier family 22 member 5 (44 Activities)

Discover Target: Slc22a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc22a3 Solute carrier family 22 member 3 (35 Activities)

Discover Target: Slc22a3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 107 °C
• Molekulargewicht: 136.150 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Yani Zheng, Yin Dai, Junqiang Hong, Huizhu Fan, Qing Zhang, Wei Jiang, Wei Xu, Jianwen Fei, Junli Hong.  (2023)  Magnetic dummy template molecularly imprinted particles functionalized with dendritic nanoclusters for selective enrichment and determination of 4-methylnitrosamino-1-(3-pyridyl)-1-butanone (NNK) in tobacco products.  RSC Advances,  13  (20): (13824-13833).  [PMID:37152563] [10.1039/D3RA00610G]

2. Wensen Liu, Yahui Liu, Hui Su, Jian Zhang, Pengfei Shi, Jie Liang, Zhaowu Zhu.  (2024)  Nickel(II) extraction from chloride solutions using N-2-ethylhexylpyridine-3-formamide: A new reagent toward clean hydrometallurgy and a proposed flowsheet for chloride leach liquors of nickel laterites.  HYDROMETALLURGY,      [PMID:] [10.1016/j.hydromet.2024.106337]

3. Yajie Zhang, Zhuhui Chen, Aoli Ye, Pei Chen, Anqi Wu, Eric Abdon Andriniaina, Linjun You, Deli Xiao.  (2024)  Preparation of a multiple interacting magnetic fluid for rapid and sensitive simultaneous extraction of β-nicotinamide mononucleotide metabolites in biological samples.  ANALYTICA CHIMICA ACTA,      [PMID:39244299] [10.1016/j.aca.2024.343074]

4. SunHongzheng , HanLongsen , GuoYueshuai , AnHuiqing , WangBing , ZhangXiangzheng , LiJiashuo , JiangYingtong , WangYue , SunGuangyi , ZhuShuai , TangShoubin , GeJuan , ChenMinjian , GuoXuejiang , WangQiang.  (2024)  The global phosphorylation landscape of mouse oocytes during meiotic maturation.  EMBO JOURNAL,      [PMID:39256562] [10.1038/s44318-024-00222-1]

5. Chen Junyang, Xiang Pan, Duro-Castano Aroa, Cai Huawei, Guo Bin, Liu Xiqin, Yu Yifan, Lui Su, Luo Kui, Ke Bowen, Ruiz-Pérez Lorena, Gong Qiyong, Tian Xiaohe, Battaglia Giuseppe.  (2025)  Rapid amyloid-β clearance and cognitive recovery through multivalent modulation of blood–brain barrier transport.  Signal Transduction and Targeted Therapy,  10  (1): (1-12).  [PMID:41052971] [10.1038/s41392-025-02426-1]