6-acetamido-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyridine-3-carboxamide

• ChemBase ID: 744002
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: C(=O)(N(C(Cc1nccc(c1)C)C)C)c1cnc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cn1)C(=O)N(C(Cc1nccc(c1)C)C)C
• InChI: InChI=1S/C18H22N4O2/c1-12-7-8-19-16(9-12)10-13(2)22(4)18(24)15-5-6-17(20-11-15)21-14(3)23/h5-9,11,13H,10H2,1-4H3,(H,20,21,23)
• InChIKey: HLNLTSPABVFQKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-acetamido-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyridine-3-carboxamide
• IUPAC Traditional name: 6-acetamido-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyridine-3-carboxamide
• Synonyms: 6-(acetylamino)-N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.004257
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4433054
• LogD (pH = 7.4): 1.637801
• Log P: 1.6410154
• Molar Refractivity: 94.0423 cm^3
• Polarizability: 34.975006 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.82
• LOG S: -0.98
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5