N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide

• ChemBase ID: 767306
• Molecular Formular: C17H16N2O3
• Molecular Mass: 296.32054
• Monoisotopic Mass: 296.11609238
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)C1c2c(C(=O)C1)cccc2
• Canonical SMILES: O=C(C1CC(=O)c2c1cccc2)Nn1c(C)cc(cc1=O)C
• InChI: InChI=1S/C17H16N2O3/c1-10-7-11(2)19(16(21)8-10)18-17(22)14-9-15(20)13-6-4-3-5-12(13)14/h3-8,14H,9H2,1-2H3,(H,18,22)
• InChIKey: FZDJAKCYNQJPAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-3-oxo-1,2-dihydroindene-1-carboxamide
• Synonyms: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-3-oxoindane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.737552
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1554705
• LogD (pH = 7.4): 1.1537286
• Log P: 1.1554928
• Molar Refractivity: 84.3342 cm^3
• Polarizability: 31.118572 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.51
• LOG S: -2.65
• Polar Surface Area: 68.17 Å^2
• Rotatable Bonds: 2