4-aminopyridine-3-carboxamide - ≥97% , CAS No.7418-66-8

CAS: 7418-66-8 Cat. No.: A634467 Molecular Weight: 137.14 EC Number: 181-312-5 PubChem CID: 13498082

GRADE & PURITY ≥97%

Synonyms

4-Amino nicotinamide | J-514461 | 4-aminonicotinic amide | AM20061839 | 4-Amino-3-pyridinecarboxamide | SY077170 | MFCD09263484 | A23474 | FT-0647260 | AKOS006331231 | 3-Pyridinecarboxamide,4-amino- | 4-aminonicotinamide | 4-aminonicotin-amide | DTXSID605

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

4-Amino nicotinamide | J-514461 | 4-aminonicotinic amide | AM20061839 | 4-Amino-3-pyridinecarboxamide | SY077170 | MFCD09263484 | A23474 | FT-0647260 | AKOS006331231 | 3-Pyridinecarboxamide, 4-amino- | 4-aminonicotinamide | 4-aminonicotin-amide | DTXSID605

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 528760206
• Canonical Smiles: C1=CN=CC(=C1N)C(=O)N
• IUPAC Name: 4-aminopyridine-3-carboxamide
• InChIKey: OFDXXPVRNNRMHI-UHFFFAOYSA-N
• INCHI: 1S/C6H7N3O/c7-5-1-2-9-3-4(5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
• Isomeric SMILES: C1=CN=CC(=C1N)C(=O)N
• Alternate CAS: 7418-66-8
• PubChem CID: 13498082
• Molecular Weight: 137.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Aminopyridines and derivatives Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Aminopyridine - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 137.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.059 Da
• Monoisotopic Mass: 137.059 Da
• Topological Polar Surface Area: 82.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 137.000
• 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