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N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

HCID 67326650
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1CN2CCC1CC2)c1ccc(C(F)(F)F)nc1
InChIKey
IZSBFHVKGMMTDD-UHFFFAOYSA-N
Molecular formula
C14H16F3N3O
Average molar mass
299.29 g/mol

Names & identifiers

Preferred name
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
IUPAC
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

Names & synonyms

SCHEMBL2230785

Database identifiers

PubChem CID
67326650

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
45.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
393

Related reactions

1 records
New reaction record
HRID 170380 reaction equation
HRID 170380As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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