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

• ChemBase ID: 731811
• Molecular Formular: C18H26N4O3
• Molecular Mass: 346.42404
• Monoisotopic Mass: 346.20049071
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)c2cc(ncc2)NC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1ccnc(c1)NC
• InChI: InChI=1S/C18H26N4O3/c1-19-15-12-14(4-7-20-15)16(23)22-9-6-18(13-22)5-3-8-21(17(18)24)10-11-25-2/h4,7,12H,3,5-6,8-11,13H2,1-2H3,(H,19,20)
• InChIKey: DQSRGHKKZFWIIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.06317484
• LogD (pH = 7.4): 0.02448531
• Log P: 0.025735006
• Molar Refractivity: 96.9366 cm^3
• Polarizability: 35.98405 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.05
• LOG S: -2.99
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 5