(5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile

C24H22N2O3 — CID 19111847

IUPAC(5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(/C=C2/C(=O)N(C(C)c3ccccc3)C(=O)C(C#N)=C2C)cc1
InChIInChI=1S/C24H22N2O3/c1-4-29-20-12-10-18(11-13-20)14-21-16(2)22(15-25)24(28)26(23(21)27)17(3)19-8-6-5-7-9-19/h5-14,17H,4H2,1-3H3/b21-14+
InChIKeyVKVBTDGSWSILDC-KGENOOAVSA-N
MW386.45 g/mol
LogP4.44
Rot. Bonds5

About (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile

(5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile (PubChem CID 19111847) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
PubChem CID19111847
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(/C=C2/C(=O)N(C(C)c3ccccc3)C(=O)C(C#N)=C2C)cc1
InChIInChI=1S/C24H22N2O3/c1-4-29-20-12-10-18(11-13-20)14-21-16(2)22(15-25)24(28)26(23(21)27)17(3)19-8-6-5-7-9-19/h5-14,17H,4H2,1-3H3/b21-14+
InChIKeyVKVBTDGSWSILDC-KGENOOAVSA-N
XLogP4.44
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_C(11)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19111854
(5E)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19111759
(5E)-1-butan-2-yl-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19110493
(5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-methyl-2,6-dioxo-1-propan-2-ylpyridine-3-carbonitrile
CID 19110350
(5E)-5-[(4-ethoxyphenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19113112
(5E)-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19111779
(5E)-1-butan-2-yl-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19110472
(5E)-4-methyl-2,6-dioxo-5-[(4-pentoxyphenyl)methylidene]-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19111967
(5E)-5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19111784
(5E)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 34511400
(5E)-5-[[3-(4-methoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19111755
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-4-methyl-1-(2-methylpropyl)-2,6-dioxopyridine-3-carbonitrile
CID 19110620

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The IUPAC name of (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile (CID 19111847) is (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The canonical SMILES for (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile is CCOc1ccc(/C=C2/C(=O)N(C(C)c3ccccc3)C(=O)C(C#N)=C2C)cc1.
What is the InChIKey of (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The InChIKey is VKVBTDGSWSILDC-KGENOOAVSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-4-29-20-12-10-18(11-13-20)14-21-16(2)22(15-25)24(28)26(23(21)27)17(3)19-8-6-5-7-9-19/h5-14,17H,4H2,1-3H3/b21-14+.
What are the key properties of (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
(5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile has a molecular weight of 386.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-ethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19111847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).