N-[(6-chloropyridin-3-yl)methyl]-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase ID: 645824
• Molecular Formular: C17H20ClN3O3
• Molecular Mass: 349.812
• Monoisotopic Mass: 349.1193192
• SMILES: c1(C(=O)N(Cc2cnc(Cl)cc2)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: Clc1ccc(cn1)CN(C(=O)c1coc(c1)CN1CCOCC1)C
• InChI: InChI=1S/C17H20ClN3O3/c1-20(10-13-2-3-16(18)19-9-13)17(22)14-8-15(24-12-14)11-21-4-6-23-7-5-21/h2-3,8-9,12H,4-7,10-11H2,1H3
• InChIKey: VYJCFSQTHXXJKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-chloropyridin-3-yl)methyl]-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-[(6-chloropyridin-3-yl)methyl]-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-[(6-chloropyridin-3-yl)methyl]-N-methyl-5-(morpholin-4-ylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0554246
• LogD (pH = 7.4): 1.3792247
• Log P: 1.3854038
• Molar Refractivity: 93.2597 cm^3
• Polarizability: 35.082756 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.15
• LOG S: -3.19
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5