5-aminopyridine-3-carboxamide

• ChemBase ID: 67479
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1c(cc(cn1)N)C(=O)N
• Canonical SMILES: Nc1cncc(c1)C(=O)N
• InChI: InChI=1S/C6H7N3O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,7H2,(H2,8,10)
• InChIKey: GQGQFLVAXGKVQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridine-3-carboxamide
• IUPAC Traditional name: 5-aminopyridine-3-carboxamide
• Synonyms: 5-Amino-3-pyridinecarboxamide

Database IDs

• CAS Number: 60524-14-3
• MDL Number: MFCD09038483
• PubChem SID: 162033214
• PubChem CID: 173747

CALCULATED PROPERTIES

• Acid pKa: 13.535439
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2379365
• LogD (pH = 7.4): -1.2229078
• Log P: -1.2227123
• Molar Refractivity: 37.6799 cm^3
• Polarizability: 13.437919 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%