6-(1-ethoxyvinyl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
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Basic information
- Standard SMILES
C=C(OCC)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1- InChIKey
UZLYCHFGNMNXQJ-UHFFFAOYSA-N- Molecular formula
- C21H17F3N4O3
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.1252749
Names & identifiers
- Preferred name
- 6-(1-ethoxyvinyl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-(1-ethoxyethenyl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-(1-ethoxyvinyl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15392857
Database identifiers
- PubChem CID
- 89907796
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
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Related reactions
1 records
Compound notes
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