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

C13H14N2O4 — CID 23246541

IUPAC2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione
SMILESCc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)n1
InChIInChI=1S/C13H14N2O4/c1-8-5-4-6-10(15-8)14-7-9-11(16)18-13(2,3)19-12(9)17/h4-7H,1-3H3,(H,14,15)
InChIKeyOUHKULHHGIJPRS-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.52
Rot. Bonds2

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

2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione (PubChem CID 23246541) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione
PubChem CID23246541
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione
SMILESCc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)n1
InChIInChI=1S/C13H14N2O4/c1-8-5-4-6-10(15-8)14-7-9-11(16)18-13(2,3)19-12(9)17/h4-7H,1-3H3,(H,14,15)
InChIKeyOUHKULHHGIJPRS-UHFFFAOYSA-N
XLogP1.52
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.52
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-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione (CID 23246541) is 2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione is Cc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)n1.
What is the InChIKey of 2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione?
The InChIKey is OUHKULHHGIJPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-5-4-6-10(15-8)14-7-9-11(16)18-13(2,3)19-12(9)17/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione has a molecular weight of 262.26 g/mol, XLogP of 1.52, 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-[[(6-methyl-2-pyridinyl)amino]methylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 23246541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).