6-ethyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 336164
• Molecular Formular: C16H19N3O4S
• Molecular Mass: 349.40476
• Monoisotopic Mass: 349.1096271
• SMILES: S(=O)(=O)(c1ccc(cc1)CCNC(=O)c1cc(=O)[nH]c(c1)CC)N
• Canonical SMILES: CCc1cc(cc(=O)[nH]1)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C16H19N3O4S/c1-2-13-9-12(10-15(20)19-13)16(21)18-8-7-11-3-5-14(6-4-11)24(17,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
• InChIKey: OFABBTJJECUVDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: 2-ethyl-6-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyridine-4-carboxamide
• Synonyms: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.147133
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.21240017
• LogD (pH = 7.4): 0.21172115
• Log P: 0.21240942
• Molar Refractivity: 92.632 cm^3
• Polarizability: 35.268158 Å^3
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.47
• LOG S: -2.66
• Polar Surface Area: 122.12 Å^2
• Rotatable Bonds: 6