1-(2-methoxyethyl)-N-(6-methoxypyridin-3-yl)-1H-indole-6-carboxamide

• ChemBase ID: 227743
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c12n(ccc2ccc(C(=O)Nc2cnc(cc2)OC)c1)CCOC
• Canonical SMILES: COCCn1ccc2c1cc(cc2)C(=O)Nc1ccc(nc1)OC
• InChI: InChI=1S/C18H19N3O3/c1-23-10-9-21-8-7-13-3-4-14(11-16(13)21)18(22)20-15-5-6-17(24-2)19-12-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
• InChIKey: INDVAWFVMKIENW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-N-(6-methoxypyridin-3-yl)-1H-indole-6-carboxamide
• IUPAC Traditional name: 1-(2-methoxyethyl)-N-(6-methoxypyridin-3-yl)indole-6-carboxamide

Database IDs

• PubChem SID: 164283653
• PubChem CID: 71754863

CALCULATED PROPERTIES

• Acid pKa: 10.983052
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5595574
• LogD (pH = 7.4): 2.559596
• Log P: 2.559707
• Molar Refractivity: 93.238 cm^3
• Polarizability: 35.900414 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds