5-methoxy-N-(3-methoxypropyl)-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 226361
• Molecular Formular: C11H16N2O4
• Molecular Mass: 240.25574
• Monoisotopic Mass: 240.111007
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)c1[nH]cc(c(=O)c1)OC
• InChI: InChI=1S/C11H16N2O4/c1-16-5-3-4-12-11(15)8-6-9(14)10(17-2)7-13-8/h6-7H,3-5H2,1-2H3,(H,12,15)(H,13,14)
• InChIKey: XLPYPAZNHUFBMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282271
• PubChem CID: 71692302

CALCULATED PROPERTIES

• Acid pKa: 7.4766035
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.8075177
• LogD (pH = 7.4): -1.0505382
• Log P: -0.80290115
• Molar Refractivity: 64.2681 cm^3
• Polarizability: 23.656881 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds