N-{2-[4-(propan-2-yl)morpholin-2-yl]ethyl}-1,8-naphthyridine-2-carboxamide

• ChemBase ID: 653698
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n1c2ncccc2ccc1C(=O)NCCC1CN(C(C)C)CCO1
• Canonical SMILES: CC(N1CCOC(C1)CCNC(=O)c1ccc2c(n1)nccc2)C
• InChI: InChI=1S/C18H24N4O2/c1-13(2)22-10-11-24-15(12-22)7-9-20-18(23)16-6-5-14-4-3-8-19-17(14)21-16/h3-6,8,13,15H,7,9-12H2,1-2H3,(H,20,23)
• InChIKey: MEANNWYBODNUTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(propan-2-yl)morpholin-2-yl]ethyl}-1,8-naphthyridine-2-carboxamide
• IUPAC Traditional name: N-[2-(4-isopropylmorpholin-2-yl)ethyl]-1,8-naphthyridine-2-carboxamide
• Synonyms: N-[2-(4-isopropylmorpholin-2-yl)ethyl]-1,8-naphthyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.530692
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.83661205
• LogD (pH = 7.4): 0.8819425
• Log P: 1.3916532
• Molar Refractivity: 93.7949 cm^3
• Polarizability: 36.277966 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.72
• LOG S: -2.21
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5