Basic information
- Standard SMILES
NC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1- InChIKey
ZHSJPWWWEJYCPF-CQSZACIVSA-N- Molecular formula
- C22H21F3N6O2
- Average molar mass
- 458.4 g/mol
Names & identifiers
- Preferred name
- (R)-6-(3-(Aminomethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
(R)-6-(3-(Aminomethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL4109872SCHEMBL15392932BDBM213513US9278981, 105
Database identifiers
- PubChem CID
- 89907855
- ChEMBL
CHEMBL4109872
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 640
Related reactions
1 records
Compound notes
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