N-[2-(1H-indol-3-yl)ethyl]-2-[(6-methyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide

• ChemBase ID: 227037
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c1(c(=O)cc([nH]c1)C)OCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(COc1c[nH]c(cc1=O)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H19N3O3/c1-12-8-16(22)17(10-20-12)24-11-18(23)19-7-6-13-9-21-15-5-3-2-4-14(13)15/h2-5,8-10,21H,6-7,11H2,1H3,(H,19,23)(H,20,22)
• InChIKey: GXNMVIBWUZRFCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-[(6-methyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide

Database IDs

• PubChem SID: 164282947
• PubChem CID: 71754178

CALCULATED PROPERTIES

• Acid pKa: 9.373557
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.3483824
• LogD (pH = 7.4): 1.3440692
• Log P: 1.3484405
• Molar Refractivity: 93.4117 cm^3
• Polarizability: 35.83928 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds