N-cyclohexyl-1-methyl-N-(pyridin-3-ylmethyl)-1H-indole-4-carboxamide

• ChemBase ID: 597319
• Molecular Formular: C22H25N3O
• Molecular Mass: 347.4534
• Monoisotopic Mass: 347.19976244
• SMILES: C(=O)(N(Cc1cnccc1)C1CCCCC1)c1c2ccn(c2ccc1)C
• Canonical SMILES: O=C(c1cccc2c1ccn2C)N(C1CCCCC1)Cc1cccnc1
• InChI: InChI=1S/C22H25N3O/c1-24-14-12-19-20(10-5-11-21(19)24)22(26)25(18-8-3-2-4-9-18)16-17-7-6-13-23-15-17/h5-7,10-15,18H,2-4,8-9,16H2,1H3
• InChIKey: UIQGIVHHJMLGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1-methyl-N-(pyridin-3-ylmethyl)-1H-indole-4-carboxamide
• IUPAC Traditional name: N-cyclohexyl-1-methyl-N-(pyridin-3-ylmethyl)indole-4-carboxamide
• Synonyms: N-cyclohexyl-1-methyl-N-(pyridin-3-ylmethyl)-1H-indole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8274949
• LogD (pH = 7.4): 3.8987381
• Log P: 3.8997476
• Molar Refractivity: 104.3829 cm^3
• Polarizability: 41.021996 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.1
• LOG S: -3.08
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4