5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide

C20H21N5O — CID 71301445

IUPAC5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2ccc(C#N)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H21N5O/c1-24-10-11-25(2)19(14-24)23-18-9-8-15(13-21)12-17(18)20(26)22-16-6-4-3-5-7-16/h3-9,12H,10-11,14H2,1-2H3,(H,22,26)/b23-19-
InChIKeyHPNYOSMNUIUJBY-NMWGTECJSA-N
MW347.42 g/mol
LogP2.72
Rot. Bonds3

About 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide

5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide (PubChem CID 71301445) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide
PubChem CID71301445
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2ccc(C#N)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H21N5O/c1-24-10-11-25(2)19(14-24)23-18-9-8-15(13-21)12-17(18)20(26)22-16-6-4-3-5-7-16/h3-9,12H,10-11,14H2,1-2H3,(H,22,26)/b23-19-
InChIKeyHPNYOSMNUIUJBY-NMWGTECJSA-N
XLogP2.72
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide?
The IUPAC name of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide (CID 71301445) is 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide.
What is the SMILES notation for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide?
The canonical SMILES for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide is CN1CCN(C)/C(=N\c2ccc(C#N)cc2C(=O)Nc2ccccc2)C1.
What is the InChIKey of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide?
The InChIKey is HPNYOSMNUIUJBY-NMWGTECJSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-10-11-25(2)19(14-24)23-18-9-8-15(13-21)12-17(18)20(26)22-16-6-4-3-5-7-16/h3-9,12H,10-11,14H2,1-2H3,(H,22,26)/b23-19-.
What are the key properties of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide?
5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-phenylbenzamide is sourced from PubChem (CID 71301445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).