N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 421195
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: n1(nc(cc1C)C)C(CNC(=O)CCn1c(=O)cccc1C)C
• Canonical SMILES: O=C(CCn1c(C)cccc1=O)NCC(n1nc(cc1C)C)C
• InChI: InChI=1S/C17H24N4O2/c1-12-10-14(3)21(19-12)15(4)11-18-16(22)8-9-20-13(2)6-5-7-17(20)23/h5-7,10,15H,8-9,11H2,1-4H3,(H,18,22)
• InChIKey: ZMUUULLVEKBBDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.645234
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.54863894
• LogD (pH = 7.4): 0.5513924
• Log P: 0.5514276
• Molar Refractivity: 103.4164 cm^3
• Polarizability: 33.972378 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.97
• LOG S: -2.34
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 6