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

C19H20N2O4 — CID 19109754

IUPAC(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile
SMILESCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C19H20N2O4/c1-5-8-21-18(22)15(12(2)16(11-20)19(21)23)9-13-6-7-14(24-3)10-17(13)25-4/h6-7,9-10H,5,8H2,1-4H3/b15-9+
InChIKeyDBSAETOESBMRTF-OQLLNIDSSA-N
MW340.38 g/mol
LogP2.71
Rot. Bonds5

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

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile (PubChem CID 19109754) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile
PubChem CID19109754
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile
SMILESCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C19H20N2O4/c1-5-8-21-18(22)15(12(2)16(11-20)19(21)23)9-13-6-7-14(24-3)10-17(13)25-4/h6-7,9-10H,5,8H2,1-4H3/b15-9+
InChIKeyDBSAETOESBMRTF-OQLLNIDSSA-N
XLogP2.71
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-1-[(4-methylphenyl)methyl]-2,6-dioxopyridine-3-carbonitrile
CID 19112659
5-[(2,4-dimethoxyphenyl)methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 3791317
(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-pentylpyridine-3-carbonitrile
CID 19110042
(5E)-5-[(4-ethoxyphenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19113112
(5E)-1-hexyl-5-[[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19110130
(5E)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19113096
(5E)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-1-(2-methoxyethyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19110892
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19112115
ethyl 4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
CID 3455036
ethyl 4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate
CID 5152941
ethyl (4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate
CID 6285523
(5E)-1-ethyl-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19109623

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile (CID 19109754) is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile is CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OC)cc2OC)C1=O.
What is the InChIKey of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile?
The InChIKey is DBSAETOESBMRTF-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-5-8-21-18(22)15(12(2)16(11-20)19(21)23)9-13-6-7-14(24-3)10-17(13)25-4/h6-7,9-10H,5,8H2,1-4H3/b15-9+.
What are the key properties of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile?
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19109754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).