4-aminopyridine-3-carboxamide

• ChemBase ID: 64368
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1(C(=O)N)c(N)ccnc1
• Canonical SMILES: NC(=O)c1cnccc1N
• InChI: InChI=1S/C6H7N3O/c7-5-1-2-9-3-4(5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
• InChIKey: OFDXXPVRNNRMHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopyridine-3-carboxamide
• IUPAC Traditional name: 4-aminopyridine-3-carboxamide
• Synonyms: 4-Amino-3-pyridinecarboxamide; 4-Amino-3-pyridinecarboxamide hydrochloride

Database IDs

• CAS Number: 7418-66-8
• MDL Number: MFCD18425621
• PubChem SID: 162030107
• PubChem CID: 13498082

CALCULATED PROPERTIES

• Acid pKa: 13.727614
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5312986
• LogD (pH = 7.4): -0.9345905
• Log P: -0.57271224
• Molar Refractivity: 37.6799 cm^3
• Polarizability: 13.434284 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: 97%