N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-(morpholin-4-yl)-6-phenylpyridine-3-carboxamide

• ChemBase ID: 424291
• Molecular Formular: C26H29N3O5
• Molecular Mass: 463.52556
• Monoisotopic Mass: 463.21072104
• SMILES: c1(c(C(=O)NCC(COc2cc(OC)ccc2)O)ccc(n1)c1ccccc1)N1CCOCC1
• Canonical SMILES: COc1cccc(c1)OCC(CNC(=O)c1ccc(nc1N1CCOCC1)c1ccccc1)O
• InChI: InChI=1S/C26H29N3O5/c1-32-21-8-5-9-22(16-21)34-18-20(30)17-27-26(31)23-10-11-24(19-6-3-2-4-7-19)28-25(23)29-12-14-33-15-13-29/h2-11,16,20,30H,12-15,17-18H2,1H3,(H,27,31)
• InChIKey: CZKCYZMSQJRNIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-(morpholin-4-yl)-6-phenylpyridine-3-carboxamide
• IUPAC Traditional name: N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-(morpholin-4-yl)-6-phenylpyridine-3-carboxamide
• Synonyms: N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-(4-morpholinyl)-6-phenylnicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.86447
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 3.1572123
• LogD (pH = 7.4): 3.2024012
• Log P: 3.2030098
• Molar Refractivity: 129.4349 cm^3
• Polarizability: 50.61321 Å^3
• Polar Surface Area: 93.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 4.22
• LOG S: -5.58
• Polar Surface Area: 93.15 Å^2
• Rotatable Bonds: 8