2,6-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-3-carboxamide

• ChemBase ID: 573771
• Molecular Formular: C15H23N3O4
• Molecular Mass: 309.36082
• Monoisotopic Mass: 309.16885623
• SMILES: c1(c(nc(cc1)OC)OC)C(=O)NCCC1OCCN(C1)C
• Canonical SMILES: COc1nc(OC)ccc1C(=O)NCCC1OCCN(C1)C
• InChI: InChI=1S/C15H23N3O4/c1-18-8-9-22-11(10-18)6-7-16-14(19)12-4-5-13(20-2)17-15(12)21-3/h4-5,11H,6-10H2,1-3H3,(H,16,19)
• InChIKey: SGCWOYSGIFBUHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-3-carboxamide
• IUPAC Traditional name: 2,6-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-3-carboxamide
• Synonyms: 2,6-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.332435
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.0705725
• LogD (pH = 7.4): 0.41411227
• Log P: 0.62333316
• Molar Refractivity: 83.0588 cm^3
• Polarizability: 31.738506 Å^3
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.1
• LOG S: -2.4
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 6