N-(6-methoxypyridin-3-yl)-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide

• ChemBase ID: 226034
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: n1(cc(c2c1cccc2)CC(=O)Nc1cnc(cc1)OC)C(C)C
• Canonical SMILES: COc1ccc(cn1)NC(=O)Cc1cn(c2c1cccc2)C(C)C
• InChI: InChI=1S/C19H21N3O2/c1-13(2)22-12-14(16-6-4-5-7-17(16)22)10-18(23)21-15-8-9-19(24-3)20-11-15/h4-9,11-13H,10H2,1-3H3,(H,21,23)
• InChIKey: IGYWTJFVGCRDSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide
• IUPAC Traditional name: 2-(1-isopropylindol-3-yl)-N-(6-methoxypyridin-3-yl)acetamide

Database IDs

• PubChem SID: 164281944
• PubChem CID: 71692019

CALCULATED PROPERTIES

• Acid pKa: 12.934799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3600793
• LogD (pH = 7.4): 3.3602278
• Log P: 3.360231
• Molar Refractivity: 95.4133 cm^3
• Polarizability: 37.08178 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