2-[benzyl(methyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 560647
• Molecular Formular: C25H27N3O
• Molecular Mass: 385.50138
• Monoisotopic Mass: 385.2154125
• SMILES: C1(C(=O)N(Cc2cnccc2)C)(N(Cc2ccccc2)C)Cc2c(C1)cccc2
• Canonical SMILES: CN(C(=O)C1(Cc2c(C1)cccc2)N(Cc1ccccc1)C)Cc1cccnc1
• InChI: InChI=1S/C25H27N3O/c1-27(18-21-11-8-14-26-17-21)24(29)25(15-22-12-6-7-13-23(22)16-25)28(2)19-20-9-4-3-5-10-20/h3-14,17H,15-16,18-19H2,1-2H3
• InChIKey: MCRMZQBLZSKCCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[benzyl(methyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: 2-[benzyl(methyl)amino]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-dihydroindene-2-carboxamide
• Synonyms: 2-[benzyl(methyl)amino]-N-methyl-N-(3-pyridinylmethyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1546674
• LogD (pH = 7.4): 2.9999838
• Log P: 3.880773
• Molar Refractivity: 117.1438 cm^3
• Polarizability: 45.39174 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.72
• LOG S: -3.89
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6