2-(2-ethylpyridine-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 542306
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)c2cc(ncc2)CC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1ccnc(c1)CC
• InChI: InChI=1S/C19H27N3O3/c1-3-16-13-15(5-8-20-16)17(23)22-10-7-19(14-22)6-4-9-21(18(19)24)11-12-25-2/h5,8,13H,3-4,6-7,9-12,14H2,1-2H3
• InChIKey: ULYSQMBRSUIGDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethylpyridine-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-ethylpyridine-4-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-ethylisonicotinoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7803234
• LogD (pH = 7.4): 0.7902769
• Log P: 0.7904054
• Molar Refractivity: 95.6477 cm^3
• Polarizability: 36.590652 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.24
• LOG S: -3.23
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5