N-[(1S)-1-(3-methylpyridin-2-yl)ethyl]-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 669784
• Molecular Formular: C20H19N3O2
• Molecular Mass: 333.38376
• Monoisotopic Mass: 333.14772686
• SMILES: c1(c(=O)[nH]c(cc1)c1ccccc1)C(=O)N[C@H](c1ncccc1C)C
• Canonical SMILES: C[C@@H](c1ncccc1C)NC(=O)c1ccc([nH]c1=O)c1ccccc1
• InChI: InChI=1S/C20H19N3O2/c1-13-7-6-12-21-18(13)14(2)22-19(24)16-10-11-17(23-20(16)25)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1
• InChIKey: PQUAIKLCKKIVFB-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S)-1-(3-methylpyridin-2-yl)ethyl]-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(1S)-1-(3-methylpyridin-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
• Synonyms: N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.109543
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9412458
• LogD (pH = 7.4): 1.9878105
• Log P: 1.9892012
• Molar Refractivity: 97.9902 cm^3
• Polarizability: 36.79319 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.65
• LOG S: -1.74
• Polar Surface Area: 74.85 Å^2
• Rotatable Bonds: 4