1,4,6-trimethyl-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 336813
• Molecular Formular: C16H19N3O4S
• Molecular Mass: 349.40476
• Monoisotopic Mass: 349.1096271
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)NCc1ccc(S(=O)(=O)N)cc1
• Canonical SMILES: O=C(c1c(C)cc(n(c1=O)C)C)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C16H19N3O4S/c1-10-8-11(2)19(3)16(21)14(10)15(20)18-9-12-4-6-13(7-5-12)24(17,22)23/h4-8H,9H2,1-3H3,(H,18,20)(H2,17,22,23)
• InChIKey: JVQHVSZFSAJJMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4,6-trimethyl-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 1,4,6-trimethyl-2-oxo-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.217234
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.02044485
• LogD (pH = 7.4): 0.01986678
• Log P: 0.020452376
• Molar Refractivity: 92.6068 cm^3
• Polarizability: 35.266205 Å^3
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.16
• LOG S: -2.92
• Polar Surface Area: 111.26 Å^2
• Rotatable Bonds: 4