N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-{[(2-fluorophenyl)methyl](methyl)amino}acetamide

• ChemBase ID: 700051
• Molecular Formular: C17H20FN3O2
• Molecular Mass: 317.3580032
• Monoisotopic Mass: 317.15395512
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)CN(Cc1c(F)cccc1)C
• Canonical SMILES: CN(Cc1ccccc1F)CC(=O)Nn1c(C)cc(cc1=O)C
• InChI: InChI=1S/C17H20FN3O2/c1-12-8-13(2)21(17(23)9-12)19-16(22)11-20(3)10-14-6-4-5-7-15(14)18/h4-9H,10-11H2,1-3H3,(H,19,22)
• InChIKey: ZWKDKXHLBMFKCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-{[(2-fluorophenyl)methyl](methyl)amino}acetamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-2-{[(2-fluorophenyl)methyl](methyl)amino}acetamide
• Synonyms: N~1~-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N~2~-(2-fluorobenzyl)-N~2~-methylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.365424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1768588
• LogD (pH = 7.4): 1.6170368
• Log P: 1.63152
• Molar Refractivity: 89.2703 cm^3
• Polarizability: 32.984703 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.22
• LOG S: -3.41
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 5