6-(3-(Hydroxymethyl)azetidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
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Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC(CO)C2)c(-c2cncnc2)c1- InChIKey
DJMQSRAFLCKEDR-UHFFFAOYSA-N- Molecular formula
- C21H18F3N5O3
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.13617394
Names & identifiers
- Preferred name
- 6-(3-(Hydroxymethyl)azetidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-[3-(hydroxymethyl)azetidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-(3-(Hydroxymethyl)azetidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15391754
Database identifiers
- PubChem CID
- 89906950
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 620
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Related reactions
1 records
Compound notes
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