diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate

C14H19NO4 — CID 175006803

IUPACdiethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1cc(C)nc(C)c1
InChIInChI=1S/C14H19NO4/c1-5-18-13(16)12(14(17)19-6-2)11-7-9(3)15-10(4)8-11/h7-8,12H,5-6H2,1-4H3
InChIKeyXAKRCDCSBIMAMF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.91
Rot. Bonds5

About diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate

diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate (PubChem CID 175006803) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate
PubChem CID175006803
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namediethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1cc(C)nc(C)c1
InChIInChI=1S/C14H19NO4/c1-5-18-13(16)12(14(17)19-6-2)11-7-9(3)15-10(4)8-11/h7-8,12H,5-6H2,1-4H3
InChIKeyXAKRCDCSBIMAMF-UHFFFAOYSA-N
XLogP1.91
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(2-methylquinolin-7-yl)propanedioate
CID 70984111
diethyl 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedioate
CID 104573497
diethyl 2-[(2,6-dimethyl-4-pyridinyl)methyl]butanedioate
CID 14982438
diethyl 2-(3-iodophenyl)propanedioate
CID 135193492
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
sodium 4-(1,3-diethoxy-1,3-dioxopropan-2-yl)phenolate
CID 139263957
diethyl 2-(1-benzofuran-6-yl)propanedioate
CID 166892758
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
ethyl 2-cyano-2-(4,6-dimethylpyrimidin-2-yl)acetate
CID 12915491
(1S)-1-(2,6-dimethyl-4-pyridinyl)propan-1-amine
CID 107504745
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
1-(2,6-dimethyl-4-pyridinyl)-2-methylbutan-1-amine
CID 107503239

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate?
The IUPAC name of diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate (CID 175006803) is diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate.
What is the SMILES notation for diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate?
The canonical SMILES for diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate is CCOC(=O)C(C(=O)OCC)c1cc(C)nc(C)c1.
What is the InChIKey of diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate?
The InChIKey is XAKRCDCSBIMAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-18-13(16)12(14(17)19-6-2)11-7-9(3)15-10(4)8-11/h7-8,12H,5-6H2,1-4H3.
What are the key properties of diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate?
diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate has a molecular weight of 265.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate is sourced from PubChem (CID 175006803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).