N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

• ChemBase ID: 490806
• Molecular Formular: C24H31N3O4
• Molecular Mass: 425.52064
• Monoisotopic Mass: 425.23145649
• SMILES: N(C(=O)c1ccncc1)(Cc1ccc(cc1)OCCN1CCOCC1)CC1OCCC1
• Canonical SMILES: O=C(c1ccncc1)N(Cc1ccc(cc1)OCCN1CCOCC1)CC1CCCO1
• InChI: InChI=1S/C24H31N3O4/c28-24(21-7-9-25-10-8-21)27(19-23-2-1-14-30-23)18-20-3-5-22(6-4-20)31-17-13-26-11-15-29-16-12-26/h3-10,23H,1-2,11-19H2
• InChIKey: VDEHFFDMBHVKJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
• IUPAC Traditional name: N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
• Synonyms: N-{4-[2-(4-morpholinyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)isonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.64545494
• LogD (pH = 7.4): 1.7658556
• Log P: 1.8391007
• Molar Refractivity: 119.197 cm^3
• Polarizability: 46.087055 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.47
• LOG S: -1.79
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 9