Basic information
- Standard SMILES
Cc1ccccc1-c1cc(N2CCN(CC#N)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
BXXGEOWRMSJJAJ-UHFFFAOYSA-N- Molecular formula
- C29H27F6N5O
- Average molar mass
- 575.5 g/mol
Names & identifiers
- Preferred name
- N-(3,5-bis-trifluoromethyl-benzyl)-6-(4-cyanomethyl-piperazin-1-yl)-N-methyl-4-o-tolyl-nicotinamide
- IUPAC
- N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(cyanomethyl)piperazin-1-yl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
Names & synonyms
N-(3,5-bis-trifluoromethyl-benzyl)-6-(4-cyanomethyl-piperazin-1-yl)-N-methyl-4-o-tolyl-nicotinamideSCHEMBL905353
Database identifiers
- PubChem CID
- 10144730
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 905
Related reactions
2 records
Compound notes
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