2,6-dimethoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-3-carboxamide

• ChemBase ID: 620915
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: c1(c(nc(cc1)OC)OC)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: COc1nc(OC)ccc1C(=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H22N4O3/c1-11-15(13-6-7-19-8-12(13)9-20-11)10-21-17(23)14-4-5-16(24-2)22-18(14)25-3/h4-5,9,19H,6-8,10H2,1-3H3,(H,21,23)
• InChIKey: DKLXFROIXAJYGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-3-carboxamide
• IUPAC Traditional name: 2,6-dimethoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-3-carboxamide
• Synonyms: 2,6-dimethoxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.462357
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.0889757
• LogD (pH = 7.4): -0.55673015
• Log P: 0.9398705
• Molar Refractivity: 95.0344 cm^3
• Polarizability: 35.866222 Å^3
• Polar Surface Area: 85.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.47
• LOG S: -1.65
• Polar Surface Area: 85.37 Å^2
• Rotatable Bonds: 5