5-amino-2-methylpyridine-3-carboxamide

• ChemBase ID: 281437
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1(C(=O)N)c(ncc(c1)N)C
• Canonical SMILES: Nc1cnc(c(c1)C(=O)N)C
• InChI: InChI=1S/C7H9N3O/c1-4-6(7(9)11)2-5(8)3-10-4/h2-3H,8H2,1H3,(H2,9,11)
• InChIKey: DABKNIBPQLSFMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12197291
• PubChem SID: 180666968
• PubChem CID: 45792592

CALCULATED PROPERTIES

• Acid pKa: 13.893005
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1800431
• LogD (pH = 7.4): -1.0925894
• Log P: -1.0913421
• Molar Refractivity: 42.2714 cm^3
• Polarizability: 15.194523 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.329

Product Information

• Purity: 95%