5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 225893
• Molecular Formular: C19H21N3O4
• Molecular Mass: 355.38774
• Monoisotopic Mass: 355.15320617
• SMILES: c1(cc(=O)c(cn1C)OC)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1cc(=O)c(cn1C)OC)c[nH]2
• InChI: InChI=1S/C19H21N3O4/c1-22-11-18(26-3)17(23)9-16(22)19(24)20-7-6-12-10-21-15-5-4-13(25-2)8-14(12)15/h4-5,8-11,21H,6-7H2,1-3H3,(H,20,24)
• InChIKey: UUYDQGJMXHPVKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-methyl-4-oxopyridine-2-carboxamide

Database IDs

• PubChem SID: 164281803
• PubChem CID: 71691904

CALCULATED PROPERTIES

• Acid pKa: 15.188235
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5213686
• LogD (pH = 7.4): 1.5213873
• Log P: 1.5213876
• Molar Refractivity: 100.5712 cm^3
• Polarizability: 38.357307 Å^3
• Polar Surface Area: 83.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds