Basic information
- Standard SMILES
CCc1[nH]c(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)cc1Br- InChIKey
LYEKEZLMWWAYOB-UHFFFAOYSA-N- Molecular formula
- C18H21BrClN5O2
- Average molar mass
- 454.7 g/mol
- Monoisotopic mass
- 453.05672
Names & identifiers
- Preferred name
- 2-(4-{[(4-Bromo-5-ethyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-6-chloroisonicotinamide
- IUPAC
- 2-[4-[(4-bromo-5-ethyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-chloropyridine-4-carboxamide
Names & synonyms
SCHEMBL3280477LYEKEZLMWWAYOB-UHFFFAOYSA-N2-(4-{[(4-Bromo-5-ethyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-6-chloroisonicotinamide
Database identifiers
- PubChem CID
- 86608271
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Related reactions
2 records
Compound notes
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