N-cyclopropyl-3-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]propanamide

• ChemBase ID: 534153
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: N1(C(=O)CCC2(C1)CN(CCC(=O)NC1CC1)CCC2)Cc1ncccc1
• Canonical SMILES: O=C(NC1CC1)CCN1CCCC2(C1)CCC(=O)N(C2)Cc1ccccn1
• InChI: InChI=1S/C21H30N4O2/c26-19(23-17-5-6-17)8-13-24-12-3-9-21(15-24)10-7-20(27)25(16-21)14-18-4-1-2-11-22-18/h1-2,4,11,17H,3,5-10,12-16H2,(H,23,26)
• InChIKey: GXJAJPNUHANYJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[9-oxo-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]propanamide
• Synonyms: N-cyclopropyl-3-[9-oxo-8-(2-pyridinylmethyl)-2,8-diazaspiro[5.5]undec-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.692202
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8425376
• LogD (pH = 7.4): -1.2825882
• Log P: 0.41618687
• Molar Refractivity: 103.6438 cm^3
• Polarizability: 40.651478 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.21
• LOG S: -2.09
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6