N-3-Pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-1-piperidinecarboxamide

C24H23F3N4O2CAS 1196109-52-0456.47 g/mol

Open in Covalent MOL file
ONHNNOFFFN
Alkyl halideEther

Properties

Molecular formula
C24H23F3N4O2
Molar mass
456.47 g/mol
Exact mass
456.1773 Da
logP
5.79Crippen estimate
Polar surface area
70.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
1196109-52-0
SMILES
OC(=Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIKey
NBOJHRYUGLRASX-UHFFFAOYSA-N
InChI
InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)

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Names and synonyms

3 names
  • 1-Piperidinecarboxamide, N-3-pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-
  • PF 3845
  • N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide

Work with N-3-Pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-1-piperidinecarboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[5-(Trifluoromethyl)pyrid-2-yloxy]thiobenzamide175277-02-833 % similar 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile175277-01-732 % similar 5'-Trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid406476-31-132 % similar Fluometuron2164-17-232 % similar Fluazifop-P-butyl79241-46-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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