Basic information
- CAS
862695-83-8- Standard SMILES
O=C(NCC1CCOCC1)c1cnc(Nc2cccc(Br)c2)cc1C1CC1- InChIKey
MFMYBHHGKONKNN-UHFFFAOYSA-N- Molecular formula
- C21H24BrN3O2
- Average molar mass
- 430.3 g/mol
- Monoisotopic mass
- 429.10519
Names & identifiers
- Preferred name
- 6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide
- IUPAC
- 6-(3-bromoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
Names & synonyms
CHEMBL480398SCHEMBL4928949DTXSID801116054BDBM502547016-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide862695-83-86-(3-Bromoanilino)-4-cyclopropyl-N-[(oxan-4-yl)methyl]pyridine-3-carboxamide6-[(3-Bromophenyl)amino]-4-cyclopropyl-N-[(tetrahydro-2H-pyran-4-yl)methyl]-3-pyridinecarboxamide
Database identifiers
- CAS
862695-83-8- PubChem CID
- 11430331
- DTXSID
DTXSID801116054- ChEMBL
CHEMBL480398
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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