5-methoxy-N-(2-methoxyethyl)-1-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

• ChemBase ID: 664711
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)N(Cc1cnccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc2c(n1C)ccc(c2)OC)Cc1cccnc1
• InChI: InChI=1S/C20H23N3O3/c1-22-18-7-6-17(26-3)11-16(18)12-19(22)20(24)23(9-10-25-2)14-15-5-4-8-21-13-15/h4-8,11-13H,9-10,14H2,1-3H3
• InChIKey: UADDHANATWBISZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-(2-methoxyethyl)-1-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-(2-methoxyethyl)-1-methyl-N-(pyridin-3-ylmethyl)indole-2-carboxamide
• Synonyms: 5-methoxy-N-(2-methoxyethyl)-1-methyl-N-(3-pyridinylmethyl)-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7435697
• LogD (pH = 7.4): 1.8148218
• Log P: 1.8158313
• Molar Refractivity: 100.7529 cm^3
• Polarizability: 39.397545 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.61
• LOG S: -1.0
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 7