diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate

C16H23NO4 — CID 11044569

IUPACdiethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
SMILESCCCc1c(C(=O)OCC)c(C)nc(C)c1C(=O)OCC
InChIInChI=1S/C16H23NO4/c1-6-9-12-13(15(18)20-7-2)10(4)17-11(5)14(12)16(19)21-8-3/h6-9H2,1-5H3
InChIKeyZRYFDBNDGXKORS-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.00
Rot. Bonds6

About diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate (PubChem CID 11044569) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
PubChem CID11044569
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namediethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
SMILESCCCc1c(C(=O)OCC)c(C)nc(C)c1C(=O)OCC
InChIInChI=1S/C16H23NO4/c1-6-9-12-13(15(18)20-7-2)10(4)17-11(5)14(12)16(19)21-8-3/h6-9H2,1-5H3
InChIKeyZRYFDBNDGXKORS-UHFFFAOYSA-N
XLogP3.00
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate (CID 11044569) is diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate is CCCc1c(C(=O)OCC)c(C)nc(C)c1C(=O)OCC.
What is the InChIKey of diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate?
The InChIKey is ZRYFDBNDGXKORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-6-9-12-13(15(18)20-7-2)10(4)17-11(5)14(12)16(19)21-8-3/h6-9H2,1-5H3.
What are the key properties of diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate has a molecular weight of 293.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 11044569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).