ChemSpider 2D Image | N-[2-({4-[(Cyclopropylcarbonyl)amino]benzoyl}amino)ethyl]-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-4-piperidinecarboxamide | C25H29N9O3

N-[2-({4-[(Cyclopropylcarbonyl)amino]benzoyl}amino)ethyl]-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-4-piperidinecarboxamide

  • Molecular FormulaC25H29N9O3
  • Average mass503.556 Da
  • Monoisotopic mass503.239349 Da
  • ChemSpider ID39451617

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Piperidinecarboxamide, N-[2-[[4-[(cyclopropylcarbonyl)amino]benzoyl]amino]ethyl]-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]- [ACD/Index Name]
N-[2-({4-[(Cyclopropylcarbonyl)amino]benzoyl}amino)ethyl]-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[2-({4-[(Cyclopropylcarbonyl)amino]benzoyl}amino)ethyl]-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[2-({4-[(Cyclopropylcarbonyl)amino]benzoyl}amino)éthyl]-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(2-(4-(cyclopropanecarboxamido)benzamido)ethyl)piperidine-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.36
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.38
Polar Surface Area: 147 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 338.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement