N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 455330
• Molecular Formular: C19H18N4O3
• Molecular Mass: 350.37122
• Monoisotopic Mass: 350.13789046
• SMILES: c1(c(=O)[nH]c(cc1)c1ccccc1)C(=O)NCCc1nc(nc(c1)O)C
• Canonical SMILES: Oc1cc(CCNC(=O)c2ccc([nH]c2=O)c2ccccc2)nc(n1)C
• InChI: InChI=1S/C19H18N4O3/c1-12-21-14(11-17(24)22-12)9-10-20-18(25)15-7-8-16(23-19(15)26)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,20,25)(H,23,26)(H,21,22,24)
• InChIKey: JGTNCFWGPOBXEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-oxo-6-phenyl-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
• Synonyms: N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.104678
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.175194
• LogD (pH = 7.4): 1.1744335
• Log P: 1.1752168
• Molar Refractivity: 98.8945 cm^3
• Polarizability: 36.524563 Å^3
• Polar Surface Area: 104.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.56
• LOG S: -2.59
• Polar Surface Area: 107.97 Å^2
• Rotatable Bonds: 5