N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase ID: 575079
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: n1(c(=O)cccc1)CC(=O)N(Cc1nc(cc(c1)C)C)C
• Canonical SMILES: Cc1cc(nc(c1)C)CN(C(=O)Cn1ccccc1=O)C
• InChI: InChI=1S/C16H19N3O2/c1-12-8-13(2)17-14(9-12)10-18(3)16(21)11-19-7-5-4-6-15(19)20/h4-9H,10-11H2,1-3H3
• InChIKey: BPDDCUAMCZXKTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(2-oxo-1,2-dihydropyridin-1-yl)acetamide
• IUPAC Traditional name: N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(2-oxopyridin-1-yl)acetamide
• Synonyms: N-[(4,6-dimethylpyridin-2-yl)methyl]-N-methyl-2-(2-oxopyridin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.266405
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.23483442
• LogD (pH = 7.4): 0.5849666
• Log P: 0.59199494
• Molar Refractivity: 82.2084 cm^3
• Polarizability: 30.73662 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.32
• LOG S: -1.56
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 4