N-(5-amino-3-methylpyridin-2-yl)acetamide

• ChemBase ID: 815705
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: CC(=O)Nc1ncc(cc1C)N
• Canonical SMILES: CC(=O)Nc1ncc(cc1C)N
• InChI: InChI=1S/C8H11N3O/c1-5-3-7(9)4-10-8(5)11-6(2)12/h3-4H,9H2,1-2H3,(H,10,11,12)
• InChIKey: YMRUAVDWBYTGNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-3-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: N-(5-amino-3-methylpyridin-2-yl)acetamide
• Synonyms: N-(5-amino-3-methylpyridin-2-yl)acetamide

Database IDs

• CAS Number: 1196152-84-7

CALCULATED PROPERTIES

• Acid pKa: 12.749894
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15027858
• LogD (pH = 7.4): 0.27044442
• Log P: 0.27223673
• Molar Refractivity: 48.8192 cm^3
• Polarizability: 17.228216 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%