5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide

C20H20FN5O — CID 71301449

IUPAC5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide
SMILESCN1CCN(C)/C(=N\c2ccc(C#N)cc2C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H20FN5O/c1-25-8-9-26(2)19(13-25)24-18-7-6-14(12-22)10-17(18)20(27)23-16-5-3-4-15(21)11-16/h3-7,10-11H,8-9,13H2,1-2H3,(H,23,27)/b24-19-
InChIKeyIQVANPTXQFZVGN-CLCOLTQESA-N
MW365.41 g/mol
LogP2.86
Rot. Bonds3

About 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide

5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide (PubChem CID 71301449) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide
PubChem CID71301449
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide
SMILESCN1CCN(C)/C(=N\c2ccc(C#N)cc2C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H20FN5O/c1-25-8-9-26(2)19(13-25)24-18-7-6-14(12-22)10-17(18)20(27)23-16-5-3-4-15(21)11-16/h3-7,10-11H,8-9,13H2,1-2H3,(H,23,27)/b24-19-
InChIKeyIQVANPTXQFZVGN-CLCOLTQESA-N
XLogP2.86
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.86
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-(3-fluorophenyl)benzamide?
The IUPAC name of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide (CID 71301449) is 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide is CN1CCN(C)/C(=N\c2ccc(C#N)cc2C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide?
The InChIKey is IQVANPTXQFZVGN-CLCOLTQESA-N. The full InChI is InChI=1S/C20H20FN5O/c1-25-8-9-26(2)19(13-25)24-18-7-6-14(12-22)10-17(18)20(27)23-16-5-3-4-15(21)11-16/h3-7,10-11H,8-9,13H2,1-2H3,(H,23,27)/b24-19-.
What are the key properties of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide?
5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-N-(3-fluorophenyl)benzamide has a molecular weight of 365.41 g/mol, XLogP of 2.86, 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-(3-fluorophenyl)benzamide is sourced from PubChem (CID 71301449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).