2-Methyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(tetrahydro-pyran-4-yl)-nicotinamide
Basic information
- Standard SMILES
Cc1nc(OCc2c(-c3ccccc3)noc2C)ccc1C(=O)NC1CCOCC1- InChIKey
HBBYBZIOEDVVLE-UHFFFAOYSA-N- Molecular formula
- C23H25N3O4
- Average molar mass
- 407.5 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(tetrahydro-pyran-4-yl)-nicotinamide
- IUPAC
- 2-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
Names & synonyms
SCHEMBL2930869CHEMBL3676510HBBYBZIOEDVVLE-UHFFFAOYSA-NBDBM133375US8846719, 602-Methyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(tetrahydro-pyran-4-yl)-nicotinamide
Database identifiers
- PubChem CID
- 68445352
- ChEMBL
CHEMBL3676510
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 551
Related reactions
6 records
Compound notes
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