3-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-(pyridin-3-yl)propanamide

• ChemBase ID: 793811
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CCC(=O)Nc2cnccc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)CCC(=O)Nc1cccnc1
• InChI: InChI=1S/C19H28N4O3/c1-26-13-12-23-9-3-6-19(18(23)25)7-11-22(15-19)10-5-17(24)21-16-4-2-8-20-14-16/h2,4,8,14H,3,5-7,9-13,15H2,1H3,(H,21,24)
• InChIKey: RYGQDKGGAOPXKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-(pyridin-3-yl)propanamide
• IUPAC Traditional name: 3-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-(pyridin-3-yl)propanamide
• Synonyms: 3-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-N-pyridin-3-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.673697
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.4229915
• LogD (pH = 7.4): -2.3070683
• Log P: 0.026728515
• Molar Refractivity: 100.5489 cm^3
• Polarizability: 38.396534 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.75
• LOG S: -2.47
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7