(5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile

C20H13ClN2O2 — CID 134106536

IUPAC(5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O2/c1-13-16(11-14-7-5-6-10-18(14)21)19(24)23(20(25)17(13)12-22)15-8-3-2-4-9-15/h2-11H,1H3/b16-11+
InChIKeyQPNZKINHFLTFEV-LFIBNONCSA-N
MW348.79 g/mol
LogP4.14
Rot. Bonds2

About (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile

(5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile (PubChem CID 134106536) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile
PubChem CID134106536
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name(5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Cl
InChIInChI=1S/C20H13ClN2O2/c1-13-16(11-14-7-5-6-10-18(14)21)19(24)23(20(25)17(13)12-22)15-8-3-2-4-9-15/h2-11H,1H3/b16-11+
InChIKeyQPNZKINHFLTFEV-LFIBNONCSA-N
XLogP4.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(5E)-1-[(2-chlorophenyl)methyl]-4-methyl-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 19113289
(5E)-1-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112148
(5E)-1-cyclohexyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112289
(5E)-1-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6148901
(5E)-1-[(2-chlorophenyl)methyl]-4-methyl-5-[(4-methylsulfanylphenyl)methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 19113377
5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile
CID 23558243
(5E)-5-[(2-chlorophenyl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 7325586
(5E)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxo-1-propan-2-ylpyridine-3-carbonitrile
CID 19110278
(5E)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19109577
(5E)-1-cyclopentyl-4-methyl-2,6-dioxo-5-[[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyridine-3-carbonitrile
CID 19112156
(5E)-5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19112344
(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1-(2-methoxyethyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19110807

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile?
The IUPAC name of (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile (CID 134106536) is (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile.
What is the SMILES notation for (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile?
The canonical SMILES for (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile is CC1=C(C#N)C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Cl.
What is the InChIKey of (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile?
The InChIKey is QPNZKINHFLTFEV-LFIBNONCSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c1-13-16(11-14-7-5-6-10-18(14)21)19(24)23(20(25)17(13)12-22)15-8-3-2-4-9-15/h2-11H,1H3/b16-11+.
What are the key properties of (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile?
(5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile has a molecular weight of 348.79 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chlorophenyl)methylidene]-4-methyl-2,6-dioxo-1-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 134106536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).