N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 499405
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(c(=O)[nH]c(cc1)C(C)C)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: O=C(c1ccc([nH]c1=O)C(C)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H24N4O2/c1-11(2)17-5-4-15(19(25)23-17)18(24)22-10-16-12(3)21-9-13-8-20-7-6-14(13)16/h4-5,9,11,20H,6-8,10H2,1-3H3,(H,22,24)(H,23,25)
• InChIKey: PHCQPAPHKLSNKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 6-isopropyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 6-isopropyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.701339
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.6817992
• LogD (pH = 7.4): -1.1494317
• Log P: 0.24487679
• Molar Refractivity: 99.258 cm^3
• Polarizability: 37.05224 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.24
• LOG S: -1.49
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 4