2-(5-chloropyridin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 849942
• Molecular Formular: C14H18ClN3O
• Molecular Mass: 279.76522
• Monoisotopic Mass: 279.11383989
• SMILES: C12(C(=O)N(CCC2)C)CN(c2ncc(cc2)Cl)CC1
• Canonical SMILES: Clc1ccc(nc1)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C14H18ClN3O/c1-17-7-2-5-14(13(17)19)6-8-18(10-14)12-4-3-11(15)9-16-12/h3-4,9H,2,5-8,10H2,1H3
• InChIKey: UMYQLYRTNGSRIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloropyridin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-chloropyridin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-chloro-2-pyridinyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.980728
• LogD (pH = 7.4): 2.0135918
• Log P: 2.0140285
• Molar Refractivity: 76.0609 cm^3
• Polarizability: 28.78691 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.83
• LOG S: -2.8
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 1