N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-N'-(2,4-dimethylphenyl)ethanediamide

• ChemBase ID: 582726
• Molecular Formular: C17H19N3O3
• Molecular Mass: 313.35106
• Monoisotopic Mass: 313.14264148
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)C(=O)Nc1c(cc(cc1)C)C
• Canonical SMILES: Cc1ccc(c(c1)C)NC(=O)C(=O)Nn1c(C)cc(cc1=O)C
• InChI: InChI=1S/C17H19N3O3/c1-10-5-6-14(12(3)7-10)18-16(22)17(23)19-20-13(4)8-11(2)9-15(20)21/h5-9H,1-4H3,(H,18,22)(H,19,23)
• InChIKey: YFCCKWLQEAGRLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-N'-(2,4-dimethylphenyl)ethanediamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-N'-(2,4-dimethylphenyl)ethanediamide
• Synonyms: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N'-(2,4-dimethylphenyl)ethanediamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.332214
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2935288
• LogD (pH = 7.4): 2.2891145
• Log P: 2.2935853
• Molar Refractivity: 91.1669 cm^3
• Polarizability: 32.847244 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.2
• LOG S: -3.36
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 3