6-(Ethyl(2-hydroxyethyl)amino)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1cncnc1- InChIKey
IWBQXLYTXYFIPH-UHFFFAOYSA-N- Molecular formula
- C21H20F3N5O2S
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.12898056
Names & identifiers
- Preferred name
- 6-(Ethyl(2-hydroxyethyl)amino)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamide
- IUPAC
- 6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
Names & synonyms
6-(Ethyl(2-hydroxyethyl)amino)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamideCHEMBL3968914SCHEMBL15393002BDBM213603US9278981, 195
Database identifiers
- PubChem CID
- 89907917
- ChEMBL
CHEMBL3968914
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 586
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…