4-cyano-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide

HCID 11645985

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Basic information

CAS: 865411-01-4
Standard SMILES: C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCNCC1
InChIKey: XZBZCEPDEKZETC-MRXNPFEDSA-N
Molecular formula: C20H23N5O
Average molar mass: 349.4 g/mol
Monoisotopic mass: 349.19026037

Names & identifiers

Preferred name: 4-cyano-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide
IUPAC: 4-cyano-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide

Names & synonyms

865411-01-44-cyano-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamideSCHEMBL4633102DTXSID804699794-Cyano-N-[(2R)-2-(piperazin-1-yl)propyl]-N-(pyridin-2-yl)benzamide

Database identifiers

CAS: 865411-01-4
PubChem CID: 11645985
DTXSID: DTXSID80469979

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 72.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 502

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