4-(6-{[1-(pyrrolidin-1-yl)hex-5-en-2-yl]oxy}pyridine-3-carbonyl)morpholine

• ChemBase ID: 328578
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: C(=O)(c1cnc(OC(CN2CCCC2)CCC=C)cc1)N1CCOCC1
• Canonical SMILES: C=CCCC(Oc1ccc(cn1)C(=O)N1CCOCC1)CN1CCCC1
• InChI: InChI=1S/C20H29N3O3/c1-2-3-6-18(16-22-9-4-5-10-22)26-19-8-7-17(15-21-19)20(24)23-11-13-25-14-12-23/h2,7-8,15,18H,1,3-6,9-14,16H2
• InChIKey: RVOYJSHWELUEGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-{[1-(pyrrolidin-1-yl)hex-5-en-2-yl]oxy}pyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(6-{[1-(pyrrolidin-1-yl)hex-5-en-2-yl]oxy}pyridine-3-carbonyl)morpholine
• Synonyms: 4-[(6-{[1-(pyrrolidin-1-ylmethyl)pent-4-en-1-yl]oxy}pyridin-3-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0046166
• LogD (pH = 7.4): 0.5648565
• Log P: 2.2205403
• Molar Refractivity: 102.3731 cm^3
• Polarizability: 39.2482 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.95
• LOG S: -3.49
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 8