2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(pyridin-3-yl)acetamide

• ChemBase ID: 832401
• Molecular Formular: C23H21N3O2
• Molecular Mass: 371.43174
• Monoisotopic Mass: 371.16337693
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)Nc1cnccc1)Cc1ccccc1
• Canonical SMILES: O=C(CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)Nc1cccnc1
• InChI: InChI=1S/C23H21N3O2/c1-26-20-12-6-5-11-19(20)23(22(26)28,14-17-8-3-2-4-9-17)15-21(27)25-18-10-7-13-24-16-18/h2-13,16H,14-15H2,1H3,(H,25,27)
• InChIKey: SIKIMACGFJXQRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-(pyridin-3-yl)acetamide
• IUPAC Traditional name: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(pyridin-3-yl)acetamide
• Synonyms: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.668956
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9258428
• LogD (pH = 7.4): 2.9540687
• Log P: 2.9544458
• Molar Refractivity: 108.8591 cm^3
• Polarizability: 41.330746 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.58
• LOG S: -4.96
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5