(5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

C15H17N3O2 — CID 58814538

IUPAC(5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C/C=C/N(C)C
InChIInChI=1S/C15H17N3O2/c1-11-12(8-6-5-7-9-17(2)3)14(19)18(4)15(20)13(11)10-16/h5-9H,1-4H3/b6-5+,9-7+,12-8+
InChIKeyYVNOVPNKYRXGRV-XYXUFPSCSA-N
MW271.32 g/mol
LogP1.38
Rot. Bonds3

About (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

(5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 58814538) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
PubChem CID58814538
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C/C=C/N(C)C
InChIInChI=1S/C15H17N3O2/c1-11-12(8-6-5-7-9-17(2)3)14(19)18(4)15(20)13(11)10-16/h5-9H,1-4H3/b6-5+,9-7+,12-8+
InChIKeyYVNOVPNKYRXGRV-XYXUFPSCSA-N
XLogP1.38
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile (CID 58814538) is (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C/C=C/N(C)C.
What is the InChIKey of (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is YVNOVPNKYRXGRV-XYXUFPSCSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-12(8-6-5-7-9-17(2)3)14(19)18(4)15(20)13(11)10-16/h5-9H,1-4H3/b6-5+,9-7+,12-8+.
What are the key properties of (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile?
(5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 58814538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).