Basic information
- Standard SMILES
CC(=O)c1cc(Cl)nc(N2CCC(NC(=O)c3cc(Br)c(C)[nH]3)CC2)c1- InChIKey
QREICYNUEFTTCP-UHFFFAOYSA-N- Molecular formula
- C18H20BrClN4O2
- Average molar mass
- 439.7 g/mol
Names & identifiers
- Preferred name
- N-[1-(4-Acetyl-6-chloro-2-pyridinyl)-4-piperidinyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxamide
- IUPAC
- N-[1-(4-acetyl-6-chloro-2-pyridinyl)piperidin-4-yl]-4-bromo-5-methyl-1H-pyrrole-2-carboxamide
Names & synonyms
SCHEMBL3284422QREICYNUEFTTCP-UHFFFAOYSA-NN-[1-(4-Acetyl-6-chloro-2-pyridinyl)-4-piperidinyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxamide
Database identifiers
- PubChem CID
- 86608317
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
Related reactions
2 records
Compound notes
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