Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCO)c(-c2cncnc2)c1- InChIKey
HZJLGODMVFJHQE-UHFFFAOYSA-N- Molecular formula
- C19H15F3N4O4
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- 6-(2-hydroxyethoxy)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-(2-hydroxyethoxy)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL3948857SCHEMBL16714101BDBM222516US9315489, 52
Database identifiers
- PubChem CID
- 72202010
- ChEMBL
CHEMBL3948857
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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