N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 474432
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)NCc1sc(nc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ncc(s1)CNC(=O)c1cc(C)c([nH]c1=O)C
• InChI: InChI=1S/C19H19N3O3S/c1-11-8-15(18(24)22-12(11)2)17(23)20-9-13-10-21-19(26-13)14-6-4-5-7-16(14)25-3/h4-8,10H,9H2,1-3H3,(H,20,23)(H,22,24)
• InChIKey: XFGKKGBCEPCCEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-{[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-5,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002581
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8489509
• LogD (pH = 7.4): 1.8489791
• Log P: 1.8490767
• Molar Refractivity: 112.1095 cm^3
• Polarizability: 38.69149 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.07
• LOG S: -3.66
• Polar Surface Area: 84.08 Å^2
• Rotatable Bonds: 5