Basic information
- Standard SMILES
C[C@H]1CN(c2ccncc2N)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C#N- InChIKey
GNFMOTRLPIYPFO-SGMGOOAPSA-N- Molecular formula
- C17H25N5O2
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3S,4S,5R)-1-(3-aminopyridin-4-yl)-4-cyano-5-methylpiperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3S,4S,5R)-1-(3-amino-4-pyridinyl)-4-cyano-5-methylpiperidin-3-yl]carbamate
Names & synonyms
SCHEMBL15588848GNFMOTRLPIYPFO-SGMGOOAPSA-Ntert-butyl (3S,4S,5R)-1-(3-aminopyridin-4-yl)-4-cyano-5-methylpiperidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 86705279
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
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