5-Methylnicotinamide - ≥95% , CAS No.70-57-5

CAS: 70-57-5 Cat. No.: M694118 분자식: C₇H₈N₂O 분자량: 136.15 EC 번호: 676-977-8

등급 & 순도 ≥95%

Synonyms

5-Methylpyridine-3-carboxamide

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

사양

동의어

5-Methylpyridine-3-carboxamide

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

정식 스마일

CC1=CC(=CN=C1)C(=O)N

IUPAC Name

5-methylpyridine-3-carboxamide

InChIKey

BCCUXBGEPLKSEX-UHFFFAOYSA-N

INCHI

1S/C7H8N2O/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3,(H2,8,10)

이성체 SMILES

CC1=CC(=CN=C1)C(=O)N

대체 CAS

70-57-5

NSC 번호

87668

MeSH 용어

5-methylnicotinamide

분자량

136.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Methylpyridines Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Methylpyridine - Heteroaromatic compound - Primary 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
• 설명: 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: Not available

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

관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 290 °C at 760 mmHg
• 녹는점(°C): 166-168 °C
• 분자량: 136.150 g/mol
• XLogP3: 0.100
• 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: 56.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• 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