5-amino-2-methoxypyridine-3-carboxamide

• ChemBase ID: 235870
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1(c(ncc(c1)N)OC)C(=O)N
• Canonical SMILES: COc1ncc(cc1C(=O)N)N
• InChI: InChI=1S/C7H9N3O2/c1-12-7-5(6(9)11)2-4(8)3-10-7/h2-3H,8H2,1H3,(H2,9,11)
• InChIKey: VNNQWNFMHRHJLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-methoxypyridine-3-carboxamide
• IUPAC Traditional name: 5-amino-2-methoxypyridine-3-carboxamide
• Synonyms: 5-amino-2-methoxypyridine-3-carboxamide

Database IDs

• MDL Number: MFCD14642187
• PubChem SID: 164291780
• PubChem CID: 61359380

CALCULATED PROPERTIES

• Acid pKa: 12.750654
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7860842
• LogD (pH = 7.4): -0.7859263
• Log P: -0.785926
• Molar Refractivity: 44.4566 cm^3
• Polarizability: 15.994951 Å^3
• Polar Surface Area: 91.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 0.241

Product Information

• Purity: 95%