N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 721232
• Molecular Formular: C17H19ClN2O3
• Molecular Mass: 334.79736
• Monoisotopic Mass: 334.10842016
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NC(Cc1ccc(Cl)cc1)CO
• Canonical SMILES: OCC(NC(=O)c1c(C)cc([nH]c1=O)C)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C17H19ClN2O3/c1-10-7-11(2)19-16(22)15(10)17(23)20-14(9-21)8-12-3-5-13(18)6-4-12/h3-7,14,21H,8-9H2,1-2H3,(H,19,22)(H,20,23)
• InChIKey: QAPYIQUURIGPQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[1-(4-chlorobenzyl)-2-hydroxyethyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.031377
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.4531152
• LogD (pH = 7.4): 1.4530265
• Log P: 1.4531165
• Molar Refractivity: 91.0745 cm^3
• Polarizability: 34.299053 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.41
• LOG S: -2.85
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 5