ChemSpider 2D Image | N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methyl-1-piperidinyl]-3-pyridinyl}-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinecarboxamide | C23H22F3N5O2

N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methyl-1-piperidinyl]-3-pyridinyl}-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinecarboxamide

  • Molecular FormulaC23H22F3N5O2
  • Average mass457.448 Da
  • Monoisotopic mass457.172546 Da
  • ChemSpider ID29763389

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methyl-1-piperidinyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoro- [ACD/Index Name]
N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methyl-1-piperidinyl]-3-pyridinyl}-6-(2,6-difluorophenyl)-5-fluoro-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-méthyl-1-pipéridinyl]-3-pyridinyl}-6-(2,6-difluorophényl)-5-fluoro-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methyl-1-piperidinyl]-3-pyridinyl}-6-(2,6-difluorphenyl)-5-fluor-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
1210415-88-5 [RN]
1210417-75-6 [RN]
2HX
LGB321
US8592455, 267

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.4±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

Click to predict properties on the Chemicalize site


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