1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile

C15H18N4O3 — CID 67360243

IUPAC1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)C1=C/N=C/CN1CCOCC1
InChIInChI=1S/C15H18N4O3/c1-11-12(9-16)14(20)18(2)15(21)13(11)10-17-3-4-19-5-7-22-8-6-19/h3,10H,4-8H2,1-2H3/b13-10?,17-3+
InChIKeyUYUOGCAXOQEXDE-WQYCNNFOSA-N
MW302.33 g/mol
LogP0.11
Rot. Bonds3

About 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile

1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile (PubChem CID 67360243) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile
PubChem CID67360243
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)C1=C/N=C/CN1CCOCC1
InChIInChI=1S/C15H18N4O3/c1-11-12(9-16)14(20)18(2)15(21)13(11)10-17-3-4-19-5-7-22-8-6-19/h3,10H,4-8H2,1-2H3/b13-10?,17-3+
InChIKeyUYUOGCAXOQEXDE-WQYCNNFOSA-N
XLogP0.11
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile (CID 67360243) is 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile is CC1=C(C#N)C(=O)N(C)C(=O)C1=C/N=C/CN1CCOCC1.
What is the InChIKey of 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is UYUOGCAXOQEXDE-WQYCNNFOSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-12(9-16)14(20)18(2)15(21)13(11)10-17-3-4-19-5-7-22-8-6-19/h3,10H,4-8H2,1-2H3/b13-10?,17-3+.
What are the key properties of 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile?
1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 302.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-[(2-morpholin-4-ylethylideneamino)methylidene]-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 67360243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).