ChemSpider 2D Image | N-{3-[(4R,5R)-2-Amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide | C18H15F2N5O2

N-{3-[(4R,5R)-2-Amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide

  • Molecular FormulaC18H15F2N5O2
  • Average mass371.341 Da
  • Monoisotopic mass371.119385 Da
  • ChemSpider ID29407046
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Pyridinecarboxamide, N-[3-[(4R,5R)-2-amino-5-fluoro-5,6-dihydro-4-methyl-4H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano- [ACD/Index Name]
N-{3-[(4R,5R)-2-Amino-5-fluor-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorphenyl}-5-cyan-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4R,5R)-2-Amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(4R,5R)-2-Amino-5-fluoro-4-méthyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophényl}-5-cyano-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide
10.1021/jm400225m
1H7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 79.05
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.32
ACD/KOC (pH 7.4): 82.11
Polar Surface Area: 113 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 258.5±7.0 cm3

Click to predict properties on the Chemicalize site






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