5-methoxy-N-(6-methoxypyridin-3-yl)-4-oxo-4H-pyran-2-carboxamide

• ChemBase ID: 226132
• Molecular Formular: C13H12N2O5
• Molecular Mass: 276.24478
• Monoisotopic Mass: 276.07462149
• SMILES: c1(cc(=O)c(co1)OC)C(=O)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)c1occ(c(=O)c1)OC
• InChI: InChI=1S/C13H12N2O5/c1-18-11-7-20-10(5-9(11)16)13(17)15-8-3-4-12(19-2)14-6-8/h3-7H,1-2H3,(H,15,17)
• InChIKey: GRKNKYXVBIJLHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-(6-methoxypyridin-3-yl)-4-oxo-4H-pyran-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-(6-methoxypyridin-3-yl)-4-oxopyran-2-carboxamide

Database IDs

• PubChem SID: 164282042
• PubChem CID: 71692105

CALCULATED PROPERTIES

• Acid pKa: 11.771165
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.738081
• LogD (pH = 7.4): 0.7382055
• Log P: 0.7382248
• Molar Refractivity: 72.8565 cm^3
• Polarizability: 26.384493 Å^3
• Polar Surface Area: 86.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds