N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyridine-3-carboxamide

• ChemBase ID: 377573
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: C(=O)(N(Cc1occc1)CCN1CCOCC1)c1cnccc1
• Canonical SMILES: O=C(c1cccnc1)N(Cc1ccco1)CCN1CCOCC1
• InChI: InChI=1S/C17H21N3O3/c21-17(15-3-1-5-18-13-15)20(14-16-4-2-10-23-16)7-6-19-8-11-22-12-9-19/h1-5,10,13H,6-9,11-12,14H2
• InChIKey: WINDPBUOTCFVIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyridine-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyridine-3-carboxamide
• Synonyms: N-(2-furylmethyl)-N-(2-morpholin-4-ylethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.22740506
• LogD (pH = 7.4): 0.62994546
• Log P: 0.63842964
• Molar Refractivity: 86.87 cm^3
• Polarizability: 33.11719 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.35
• LOG S: -2.66
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6