Basic information
- Standard SMILES
CCNC(=O)c1cnc(N2CCC[C@@H](Oc3ccc(C#N)cc3OCC)C2)nc1- InChIKey
BCBOYMBLBNHDSJ-QGZVFWFLSA-N- Molecular formula
- C21H25N5O3
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.19573968
Names & identifiers
- Preferred name
- US10188653, Example 17
- IUPAC
- 2-[(3R)-3-(4-cyano-2-ethoxyphenoxy)piperidin-1-yl]-N-ethylpyrimidine-5-carboxamide
Names & synonyms
CHEMBL6033339SCHEMBL17077533BCBOYMBLBNHDSJ-QGZVFWFLSA-NBDBM323628US10188653, Example 17(R)-2-(3-(4-cyano-2-ethoxyphenoxy)piperidin-1-yl)-N-ethylpyrimidine-5-carboxamide
Database identifiers
- PubChem CID
- 118366240
- ChEMBL
CHEMBL6033339
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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