N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 741205
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)C(n1nccc1)CC
• Canonical SMILES: CCC(n1cccn1)C(=O)Nn1c(C)cc(cc1=O)C
• InChI: InChI=1S/C14H18N4O2/c1-4-12(17-7-5-6-15-17)14(20)16-18-11(3)8-10(2)9-13(18)19/h5-9,12H,4H2,1-3H3,(H,16,20)
• InChIKey: WBPOOWBGDFXRAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-2-(pyrazol-1-yl)butanamide
• Synonyms: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-2-(1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.728079
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0664409
• LogD (pH = 7.4): 1.0647638
• Log P: 1.066568
• Molar Refractivity: 88.4325 cm^3
• Polarizability: 28.617167 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: 1.06
• LOG S: -2.11
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 4