4,6-dimethyl-3-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 337878
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)N1CC=C(CC1)c1ccccc1
• Canonical SMILES: Cc1cc(C)[nH]c(=O)c1C(=O)N1CCC(=CC1)c1ccccc1
• InChI: InChI=1S/C19H20N2O2/c1-13-12-14(2)20-18(22)17(13)19(23)21-10-8-16(9-11-21)15-6-4-3-5-7-15/h3-8,12H,9-11H2,1-2H3,(H,20,22)
• InChIKey: IXXBLNYCSHWXNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-3-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 4,6-dimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-2-one
• Synonyms: 4,6-dimethyl-3-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]pyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0338745
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8501974
• LogD (pH = 7.4): 1.8501096
• Log P: 1.850199
• Molar Refractivity: 93.3179 cm^3
• Polarizability: 34.57818 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.88
• LOG S: -3.06
• Polar Surface Area: 53.17 Å^2
• Rotatable Bonds: 2