5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C14H17N3O4 — CID 102596919

IUPAC5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCN(C)C(Nc1ccncc1)=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C14H17N3O4/c1-14(2)20-12(18)10(13(19)21-14)11(17(3)4)16-9-5-7-15-8-6-9/h5-8H,1-4H3,(H,15,16)
InChIKeyKQSNJWFVQINHKY-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.10
Rot. Bonds3

About 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 102596919) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID102596919
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCN(C)C(Nc1ccncc1)=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C14H17N3O4/c1-14(2)20-12(18)10(13(19)21-14)11(17(3)4)16-9-5-7-15-8-6-9/h5-8H,1-4H3,(H,15,16)
InChIKeyKQSNJWFVQINHKY-UHFFFAOYSA-N
XLogP1.10
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide
CID 22734102
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
5-[(3,5-ditert-butyl-4-hydroxyanilino)-(pyridin-3-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 19103151
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
CID 30835013
5-(methylamino)-N-pyridin-4-ylpyrazine-2-carboxamide
CID 107374325
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide
CID 17189887
5-[1-(4-bromo-2-fluoroanilino)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126532251
2,2-dimethyl-5-[2-[(4-methyl-3-pyridinyl)amino]ethylidene]-1,3-dioxane-4,6-dione
CID 118872954
2,2-dimethyl-5-[1-(4-methylphenyl)ethylidene]-1,3-dioxane-4,6-dione
CID 71405296
N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]thiophene-2-carboxamide
CID 168539388

Frequently Asked Questions

What is the IUPAC name of 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 102596919) is 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CN(C)C(Nc1ccncc1)=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is KQSNJWFVQINHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2)20-12(18)10(13(19)21-14)11(17(3)4)16-9-5-7-15-8-6-9/h5-8H,1-4H3,(H,15,16).
What are the key properties of 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 291.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethylamino-(pyridin-4-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 102596919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).