Basic information
- Standard SMILES
CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncnc1- InChIKey
GXZCQVFGFGKIHG-UHFFFAOYSA-N- Molecular formula
- C21H20ClF2N5O3
- Average molar mass
- 463.9 g/mol
- Monoisotopic mass
- 463.1222735
Names & identifiers
- Preferred name
- N-(4-(Chlorodifluoromethoxy)phenyl)-6-(ethyl(2-hydroxyethyl)amino)-5-(pyrimidin-5-yl)nicotinamide
- IUPAC
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
Names & synonyms
N-(4-(Chlorodifluoromethoxy)phenyl)-6-(ethyl(2-hydroxyethyl)amino)-5-(pyrimidin-5-yl)nicotinamideCHEMBL3934436SCHEMBL15393522BDBM213590US9278981, 182
Database identifiers
- PubChem CID
- 89908393
- ChEMBL
CHEMBL3934436
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
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