(5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile

C15H17N3O3 — CID 58814473

IUPAC(5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C/N1CCOCC1
InChIInChI=1S/C15H17N3O3/c1-11-12(4-3-5-18-6-8-21-9-7-18)14(19)17(2)15(20)13(11)10-16/h3-5H,6-9H2,1-2H3/b5-3+,12-4+
InChIKeyQRKIWSUPADDEOH-KNHODELZSA-N
MW287.32 g/mol
LogP0.60
Rot. Bonds2

About (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile

(5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile (PubChem CID 58814473) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile
PubChem CID58814473
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C/N1CCOCC1
InChIInChI=1S/C15H17N3O3/c1-11-12(4-3-5-18-6-8-21-9-7-18)14(19)17(2)15(20)13(11)10-16/h3-5H,6-9H2,1-2H3/b5-3+,12-4+
InChIKeyQRKIWSUPADDEOH-KNHODELZSA-N
XLogP0.60
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 647740
4-(2,2-Dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 47029077
1-(2-Morpholin-4-ylethyl)-3-propan-2-ylpyridin-2-one
CID 20605548
1,6-Dimethyl-4-(morpholine-4-carbonyl)pyridin-2-one
CID 20668742
(5E)-5-[(2E,4E)-5-(dimethylamino)penta-2,4-dienylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
CID 58814538
(5Z)-1,4-dimethyl-5-[2-(1-methyl-4-pyridinylidene)ethylidene]-2,6-dioxopyridine-3-carbonitrile
CID 59550330
1,4-Dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 67360243
N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide
CID 71051791
1-Methyl-4-(morpholine-4-carbonyl)pyridin-2-one
CID 71898457
1,4-Dimethyl-5-[2-(1-methyl-4-pyridinylidene)ethylidene]-2,6-dioxopyridine-3-carbonitrile
CID 72323780
2-[2,6-Dimethyl-1-[2-[2-(2-oxo-1-pyridinyl)ethoxy]ethyl]-4-pyridinylidene]propanedinitrile
CID 141229004
1-Methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
CID 141316176

Frequently Asked Questions

What is the IUPAC name of (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile (CID 58814473) is (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile is CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C=C/N1CCOCC1.
What is the InChIKey of (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is QRKIWSUPADDEOH-KNHODELZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-12(4-3-5-18-6-8-21-9-7-18)14(19)17(2)15(20)13(11)10-16/h3-5H,6-9H2,1-2H3/b5-3+,12-4+.
What are the key properties of (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile?
(5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,4-dimethyl-5-[(E)-3-morpholin-4-ylprop-2-enylidene]-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 58814473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).