N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-(trimethyl-1H-pyrazol-4-yl)propanamide

• ChemBase ID: 669553
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)CCc1c(n(nc1C)C)C
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)NC(=O)CCc1c(C)nn(c1C)C
• InChI: InChI=1S/C16H22N4O2/c1-10-8-11(2)20(16(22)9-10)18-15(21)7-6-14-12(3)17-19(5)13(14)4/h8-9H,6-7H2,1-5H3,(H,18,21)
• InChIKey: DJQOIISTANMSLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-(trimethyl-1H-pyrazol-4-yl)propanamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-3-(trimethylpyrazol-4-yl)propanamide
• Synonyms: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.086805
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9080165
• LogD (pH = 7.4): 0.9097242
• Log P: 0.91054654
• Molar Refractivity: 98.9798 cm^3
• Polarizability: 32.05459 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.15
• LOG S: -2.39
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 4