N¹-methylnicotinamide - Moligand™, ≥98% , CAS No.3106-60-3

CAS: 3106-60-3 Cat. No.: N612422 Peso molecular: 137.16 PubChem CID: 457

GRADE & PURITY Moligand™, ≥98%

Synonyms

UM47085BXC | bmse000639 | N-1-methylnicotinamide | N1-Methylnicotinamide | 8GC | 1-methylnicotinamide | FT-0696888 | Pyridinium, 3-carbamoyl-1-methyl- | Trigonellinamide | 1-methyl-3-carbamoylpyridinium | 3-carbamoyl-1-methylpyridinium | 3-carbamoyl-1-met

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

UM47085BXC | bmse000639 | N-1-methylnicotinamide | N1-Methylnicotinamide | 8GC | 1-methylnicotinamide | FT-0696888 | Pyridinium, 3-carbamoyl-1-methyl- | Trigonellinamide | 1-methyl-3-carbamoylpyridinium | 3-carbamoyl-1-methylpyridinium | 3-carbamoyl-1-met

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508817326
• Sonrisas canónicas: C[n+]1cccc(c1)C(=O)N
• IUPAC Name: 3-carbamoyl-1-methylpyridin-1-ium
• InChIKey: LDHMAVIPBRSVRG-UHFFFAOYSA-O
• INCHI: 1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
• Isómeros SMILES: C[N+]1=CC=CC(=C1)C(=O)N
• PubChem CID: 457
• Peso molecular: 137.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: N-methylpyridinium compounds Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - N-methylpyridinium - Pyridinium - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: 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: a small molecule

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

Propiedades químicas y físicas

• Peso molecular: 137.160 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 137.071 Da
• Monoisotopic Mass: 137.071 Da
• Topological Polar Surface Area: 47.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 1
• Complexity: 136.000
• 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

Referencias

1. 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]