2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane

C15H20N2O4 — CID 142933412

IUPAC2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane
SMILESCC.Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)nc1
InChIInChI=1S/C13H14N2O4.C2H6/c1-8-4-5-10(14-6-8)15-7-9-11(16)18-13(2,3)19-12(9)17;1-2/h4-7H,1-3H3,(H,14,15);1-2H3
InChIKeyCUVNHCQBGWDQQC-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.55
Rot. Bonds2

About 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane

2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane (PubChem CID 142933412) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane.

Molecular Properties

Compound Name2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane
PubChem CID142933412
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane
SMILESCC.Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)nc1
InChIInChI=1S/C13H14N2O4.C2H6/c1-8-4-5-10(14-6-8)15-7-9-11(16)18-13(2,3)19-12(9)17;1-2/h4-7H,1-3H3,(H,14,15);1-2H3
InChIKeyCUVNHCQBGWDQQC-UHFFFAOYSA-N
XLogP2.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane?
The IUPAC name of 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane (CID 142933412) is 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane.
What is the SMILES notation for 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane?
The canonical SMILES for 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane is CC.Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)nc1.
What is the InChIKey of 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane?
The InChIKey is CUVNHCQBGWDQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4.C2H6/c1-8-4-5-10(14-6-8)15-7-9-11(16)18-13(2,3)19-12(9)17;1-2/h4-7H,1-3H3,(H,14,15);1-2H3.
What are the key properties of 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane?
2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane has a molecular weight of 292.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[(5-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione;ethane is sourced from PubChem (CID 142933412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).