2-(7-methoxy-1H-indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 222214
• Molecular Formular: C17H17N3O2
• Molecular Mass: 295.33578
• Monoisotopic Mass: 295.1320768
• SMILES: n1(ccc2c1c(OC)ccc2)CC(=O)NCc1cnccc1
• Canonical SMILES: COc1cccc2c1n(cc2)CC(=O)NCc1cccnc1
• InChI: InChI=1S/C17H17N3O2/c1-22-15-6-2-5-14-7-9-20(17(14)15)12-16(21)19-11-13-4-3-8-18-10-13/h2-10H,11-12H2,1H3,(H,19,21)
• InChIKey: CYQWMBIVSLSUST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-methoxy-1H-indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-(7-methoxyindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

Database IDs

• PubChem SID: 164278124
• PubChem CID: 39377804

CALCULATED PROPERTIES

• Acid pKa: 15.032602
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4669918
• LogD (pH = 7.4): 1.5385163
• Log P: 1.53953
• Molar Refractivity: 83.7636 cm^3
• Polarizability: 33.485462 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds