Basic information
- Standard SMILES
CC(C)(C)C(=O)Nc1cc(NCC2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)cn1- InChIKey
KIYBNLDMVXYWAA-UHFFFAOYSA-N- Molecular formula
- C24H31ClN4O3
- Average molar mass
- 459 g/mol
Names & identifiers
- Preferred name
- Benzyl 4-((5-chloro-2-pivalamidopyridin-4-ylamino)methyl)piperidine-1-carboxylate
- IUPAC
- benzyl 4-[[[5-chloro-2-(2,2-dimethylpropanoylamino)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL620312KIYBNLDMVXYWAA-UHFFFAOYSA-Nbenzyl 4-((5-chloro-2-pivalamidopyridin-4-ylamino)methyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59613350
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 613
Related reactions
4 records
Compound notes
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