N-(3,5-dimethoxyphenyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide

• ChemBase ID: 537723
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(cn(nc1)C)C1=CCN(CC(=O)Nc2cc(cc(c2)OC)OC)CC1
• Canonical SMILES: COc1cc(NC(=O)CN2CCC(=CC2)c2cnn(c2)C)cc(c1)OC
• InChI: InChI=1S/C19H24N4O3/c1-22-12-15(11-20-22)14-4-6-23(7-5-14)13-19(24)21-16-8-17(25-2)10-18(9-16)26-3/h4,8-12H,5-7,13H2,1-3H3,(H,21,24)
• InChIKey: XZJULCHOERFAPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
• Synonyms: N-(3,5-dimethoxyphenyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.830996
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.46987778
• LogD (pH = 7.4): 1.3382552
• Log P: 1.3752227
• Molar Refractivity: 113.6614 cm^3
• Polarizability: 38.249733 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.02
• LOG S: -3.53
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6