3-amino-5-methylpyridine-2-carboxamide

• ChemBase ID: 53819
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1(cnc(c(c1)N)C(=O)N)C
• Canonical SMILES: Cc1cnc(c(c1)N)C(=O)N
• InChI: InChI=1S/C7H9N3O/c1-4-2-5(8)6(7(9)11)10-3-4/h2-3H,8H2,1H3,(H2,9,11)
• InChIKey: REXAHTHRDYOUDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-methylpyridine-2-carboxamide
• IUPAC Traditional name: 3-amino-5-methylpyridine-2-carboxamide
• Synonyms: 3-Amino-5-methyl-pyridine-2-carboxylic acid amide; 3-Amino-2-carbamoyl-5-methylpyridine; 3-Amino-5-methylpyridine-2-carboxamide

Database IDs

• MDL Number: MFCD15142820
• PubChem SID: 162058582
• PubChem CID: 53395566

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 0.3264127
• LogD (pH = 7.4): 0.3265576
• Log P: 0.32655945
• Molar Refractivity: 42.3491 cm^3
• Polarizability: 15.199836 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.858584
• H Acceptors: 3

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%