6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 408856
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: N1(c2ncc(C(=O)N(C)C)cc2)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1ccc(cn1)C(=O)N(C)C
• InChI: InChI=1S/C23H25N3O3/c1-25(2)23(27)19-7-9-22(24-14-19)26-10-11-29-21(15-26)18-5-4-17-13-20(28-3)8-6-16(17)12-18/h4-9,12-14,21H,10-11,15H2,1-3H3
• InChIKey: ZJMIDYUYHCGZPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 6-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0747283
• LogD (pH = 7.4): 3.1525176
• Log P: 3.1536124
• Molar Refractivity: 113.7857 cm^3
• Polarizability: 44.023838 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.42
• LOG S: -4.12
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 4