N-(6-acetamidopyridin-2-yl)acetamide

• ChemBase ID: 248135
• Molecular Formular: C9H11N3O2
• Molecular Mass: 193.20254
• Monoisotopic Mass: 193.08512661
• SMILES: n1c(NC(=O)C)cccc1NC(=O)C
• Canonical SMILES: CC(=O)Nc1cccc(n1)NC(=O)C
• InChI: InChI=1S/C9H11N3O2/c1-6(13)10-8-4-3-5-9(12-8)11-7(2)14/h3-5H,1-2H3,(H2,10,11,12,13,14)
• InChIKey: DVKNWDFYHWHRML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-acetamidopyridin-2-yl)acetamide
• IUPAC Traditional name: N-(6-acetamidopyridin-2-yl)acetamide
• Synonyms: N-(6-acetamidopyridin-2-yl)acetamide

Database IDs

• MDL Number: MFCD00023425
• PubChem SID: 164304045
• PubChem CID: 95139

CALCULATED PROPERTIES

• Acid pKa: 11.787369
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.41861326
• LogD (pH = 7.4): 0.41987586
• Log P: 0.41990918
• Molar Refractivity: 54.2541 cm^3
• Polarizability: 19.23504 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.261

Product Information

• Purity: 95%