N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 694597
• Molecular Formular: C17H27N5O
• Molecular Mass: 317.42918
• Monoisotopic Mass: 317.22156051
• SMILES: N1C(C(=O)NCCNc2ncccc2C)CC2(C1)CCNCC2
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NCCNc1ncccc1C
• InChI: InChI=1S/C17H27N5O/c1-13-3-2-6-19-15(13)20-9-10-21-16(23)14-11-17(12-22-14)4-7-18-8-5-17/h2-3,6,14,18,22H,4-5,7-12H2,1H3,(H,19,20)(H,21,23)
• InChIKey: LEICZODHTKUALU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-{2-[(3-methyl-2-pyridinyl)amino]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.5306835
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -7.6063037
• LogD (pH = 7.4): -5.234423
• Log P: 0.08732697
• Molar Refractivity: 92.3637 cm^3
• Polarizability: 35.395638 Å^3
• Polar Surface Area: 78.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: -0.05
• LOG S: -2.78
• Polar Surface Area: 78.08 Å^2
• Rotatable Bonds: 5