N,1,4,6-tetramethyl-2-oxo-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 828077
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N(Cc1ccc(n2nccc2)cc1)C
• Canonical SMILES: CN(C(=O)c1c(C)cc(n(c1=O)C)C)Cc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C20H22N4O2/c1-14-12-15(2)23(4)20(26)18(14)19(25)22(3)13-16-6-8-17(9-7-16)24-11-5-10-21-24/h5-12H,13H2,1-4H3
• InChIKey: ASRTZBHFZJIRGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,4,6-tetramethyl-2-oxo-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N,1,4,6-tetramethyl-2-oxo-N-{[4-(pyrazol-1-yl)phenyl]methyl}pyridine-3-carboxamide
• Synonyms: N,1,4,6-tetramethyl-2-oxo-N-[4-(1H-pyrazol-1-yl)benzyl]-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7238587
• LogD (pH = 7.4): 1.7239155
• Log P: 1.7239162
• Molar Refractivity: 103.7073 cm^3
• Polarizability: 38.863342 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.6
• LOG S: -3.12
• Polar Surface Area: 60.13 Å^2
• Rotatable Bonds: 4