Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cccnc1Nc1ccc(F)cc1- InChIKey
IPURJDIXIKDDMX-UHFFFAOYSA-N- Molecular formula
- C22H18F2N6O
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.15101554
Names & identifiers
- Preferred name
- N-((1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(4-fluorophenylamino) nicotinamide
- IUPAC
- 2-(4-fluoroanilino)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
Names & synonyms
CHEMBL3287801SCHEMBL16777284IPURJDIXIKDDMX-UHFFFAOYSA-NNSC761870NSC-761870N-((1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(4-fluorophenylamino) nicotinamide
Database identifiers
- PubChem CID
- 90681007
- ChEMBL
CHEMBL3287801
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 568
Related reactions
1 records
Compound notes
Loading…