Basic information
- Standard SMILES
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
XQPFDQVEBGYLHB-UHFFFAOYSA-N- Molecular formula
- C19H21ClN6O
- Average molar mass
- 384.9 g/mol
Names & identifiers
- Preferred name
- 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
- IUPAC
- 4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Names & synonyms
CHEMBL5981944-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide885500-12-9orb2664479SCHEMBL1001031XQPFDQVEBGYLHB-UHFFFAOYSA-NBDBM50307942PD119837HY-164414T89057US8796293, 69Q27467433
Show more names
4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperidine-4-carboxylic acid 4-chloro-benzylamideX39
Database identifiers
- PubChem CID
- 11675388
- ChEMBL
CHEMBL598194
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
5 records
Compound notes
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