ChemSpider 2D Image | (3R)-N-[5-Chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-piperidinecarboxamide | C18H19ClFN3O2

(3R)-N-[5-Chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-piperidinecarboxamide

  • Molecular FormulaC18H19ClFN3O2
  • Average mass363.814 Da
  • Monoisotopic mass363.114990 Da
  • ChemSpider ID26529763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-N-[5-Chlor-4-(5-fluor-2-methoxyphenyl)-2-pyridinyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R)-N-[5-Chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R)-N-[5-Chloro-4-(5-fluoro-2-méthoxyphényl)-2-pyridinyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-, (3R)- [ACD/Index Name]
(3R)-N-[5-Chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl]piperidine-3-carboxamide
(R)-N-(5-chloro-4-(5-fluoro-2-methoxyphenyl)pyridin-2-yl)piperidine-3-carboxamide
[1269815-17-9] [RN]
1269815-17-9 [RN]
CDK inhibitor II
CDK-IN-2
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CDK MedChem Express HY-13033
      CDK-IN-2 is a potent and specific CDK9 inhibitor with IC50 of <8 nM. MedChem Express
      CDK-IN-2 is a potent and specific CDK9 inhibitor with IC50 of <8 nM.; IC50 Value: <8 nM [1]; Target: CDK9; In vitro:; In vivo: MedChem Express HY-13033
      CDK-IN-2 is a potent and specific CDK9 inhibitor with IC50 of <8 nM.;IC50 Value: <8 nM [1];Target: CDK9;In vitro:;In vivo: MedChem Express HY-13033
      Cell Cycle/DNA Damage MedChem Express HY-13033
      Cell Cycle/DNA Damage; MedChem Express HY-13033

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

Density: 1.3±0.1 g/cm3
Boiling Point: 525.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.7±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 94.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 20.12
Polar Surface Area: 63 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

Click to predict properties on the Chemicalize site


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