1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile

C15H15N3O2 — CID 177199526

IUPAC1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCCN1C(=O)C(=Cc2cccn2C)C(C)=C(C#N)C1=O
InChIInChI=1S/C15H15N3O2/c1-4-18-14(19)12(8-11-6-5-7-17(11)3)10(2)13(9-16)15(18)20/h5-8H,4H2,1-3H3
InChIKeyMCWHSGPNUAHBTJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.64
Rot. Bonds2

About 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile

1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (PubChem CID 177199526) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
PubChem CID177199526
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCCN1C(=O)C(=Cc2cccn2C)C(C)=C(C#N)C1=O
InChIInChI=1S/C15H15N3O2/c1-4-18-14(19)12(8-11-6-5-7-17(11)3)10(2)13(9-16)15(18)20/h5-8H,4H2,1-3H3
InChIKeyMCWHSGPNUAHBTJ-UHFFFAOYSA-N
XLogP1.64
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.64
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'}

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Related Compounds

(5Z)-1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 177199523
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19109601
5-[(1-butyl-4-tert-butylpyrrol-2-yl)methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 177199510
(5Z)-5-[[5-(4-cyanophenyl)-4-methylpyrrolo[2,3-d][1,3]thiazol-2-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 170175404
ethyl 3-[5-[(E)-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 50886842
(5Z)-1-ethyl-4-methyl-5-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 168735615
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
CID 126248673
(5E)-1-ethyl-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 19109623
(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-1-ethyl-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 50887495
(5Z)-1-ethyl-4-methyl-5-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 50885716
(5E)-1-ethyl-4-methyl-2,6-dioxo-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]pyridine-3-carbonitrile
CID 19109530
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile
CID 19109754

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (CID 177199526) is 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is CCN1C(=O)C(=Cc2cccn2C)C(C)=C(C#N)C1=O.
What is the InChIKey of 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is MCWHSGPNUAHBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-4-18-14(19)12(8-11-6-5-7-17(11)3)10(2)13(9-16)15(18)20/h5-8H,4H2,1-3H3.
What are the key properties of 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 177199526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).