2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide

C17H14N2O2 — CID 3527277

IUPAC2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide
SMILESCc1ccc(NC(=O)C(C#N)=CC=Cc2ccco2)cc1
InChIInChI=1S/C17H14N2O2/c1-13-7-9-15(10-8-13)19-17(20)14(12-18)4-2-5-16-6-3-11-21-16/h2-11H,1H3,(H,19,20)
InChIKeyOVSQTUCFZONJKR-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.69
Rot. Bonds4

About 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide

2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide (PubChem CID 3527277) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide
PubChem CID3527277
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide
SMILESCc1ccc(NC(=O)C(C#N)=CC=Cc2ccco2)cc1
InChIInChI=1S/C17H14N2O2/c1-13-7-9-15(10-8-13)19-17(20)14(12-18)4-2-5-16-6-3-11-21-16/h2-11H,1H3,(H,19,20)
InChIKeyOVSQTUCFZONJKR-UHFFFAOYSA-N
XLogP3.69
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide
CID 6373548
(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide
CID 958348
(2Z,4E)-2-cyano-5-(furan-2-yl)-N-(1-phenylethyl)penta-2,4-dienamide
CID 6154562
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076
2-cyano-3-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2888047
(E)-2-cyano-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
(2E,4E)-5-(1-benzyltriazol-4-yl)-2-cyano-N-(4-methylphenyl)penta-2,4-dienamide
CID 9353205
(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
CID 6106364
(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 7912177
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoic acid
CID 957163

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide?
The IUPAC name of 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide (CID 3527277) is 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide.
What is the SMILES notation for 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide?
The canonical SMILES for 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide is Cc1ccc(NC(=O)C(C#N)=CC=Cc2ccco2)cc1.
What is the InChIKey of 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide?
The InChIKey is OVSQTUCFZONJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-13-7-9-15(10-8-13)19-17(20)14(12-18)4-2-5-16-6-3-11-21-16/h2-11H,1H3,(H,19,20).
What are the key properties of 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide?
2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide has a molecular weight of 278.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide is sourced from PubChem (CID 3527277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).