N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 226121
• Molecular Formular: C15H14N2O5
• Molecular Mass: 302.28206
• Monoisotopic Mass: 302.09027156
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)Nc1cc2c(OCCO2)cc1
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C15H14N2O5/c1-20-14-8-16-10(7-11(14)18)15(19)17-9-2-3-12-13(6-9)22-5-4-21-12/h2-3,6-8H,4-5H2,1H3,(H,16,18)(H,17,19)
• InChIKey: UGEYXWAHMKLYMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Database IDs

• PubChem SID: 164282031
• PubChem CID: 27448426

CALCULATED PROPERTIES

• Acid pKa: 6.6647086
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.68748105
• LogD (pH = 7.4): 0.0062932326
• Log P: 0.7148156
• Molar Refractivity: 80.875 cm^3
• Polarizability: 29.490532 Å^3
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds