N-(6-methoxypyridin-3-yl)-2-(1-methyl-1H-indol-3-yl)acetamide

• ChemBase ID: 225878
• Molecular Formular: C17H17N3O2
• Molecular Mass: 295.33578
• Monoisotopic Mass: 295.1320768
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)Cc1cn(c2c1cccc2)C
• InChI: InChI=1S/C17H17N3O2/c1-20-11-12(14-5-3-4-6-15(14)20)9-16(21)19-13-7-8-17(22-2)18-10-13/h3-8,10-11H,9H2,1-2H3,(H,19,21)
• InChIKey: WNZHVHLKGUZSQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-2-(1-methyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-2-(1-methylindol-3-yl)acetamide

Database IDs

• PubChem SID: 164281788
• PubChem CID: 48388551

CALCULATED PROPERTIES

• Acid pKa: 12.934799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5866964
• LogD (pH = 7.4): 2.5868447
• Log P: 2.5868478
• Molar Refractivity: 86.2459 cm^3
• Polarizability: 33.392624 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds