Basic information
- Standard SMILES
CCOc1ccc(-c2ncc(C(=O)N(C3CC3)C3CCN(C#N)CC3)cn2)cn1- InChIKey
PZGGSSUFRKTYBO-UHFFFAOYSA-N- Molecular formula
- C21H24N6O2
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- 2-(6-Ethoxy-pyridin-3-yl)-pyrimidine-5-carboxylic acid (1-cyano-piperidin-4-yl)-cyclopropyl-amide
- IUPAC
- N-(1-cyanopiperidin-4-yl)-N-cyclopropyl-2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL15001057PZGGSSUFRKTYBO-UHFFFAOYSA-N2-(6-ethoxy-pyridin-3-yl)-pyrimidine-5-carboxylic acid (1-cyano-piperidin-4-yl)-cyclopropyl-amide
Database identifiers
- PubChem CID
- 86686162
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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