diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate

C18H23NO4S — CID 623928

IUPACdiethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccsc1
InChIInChI=1S/C18H23NO4S/c1-6-22-17(20)14-11(3)19(5)12(4)15(18(21)23-7-2)16(14)13-8-9-24-10-13/h8-10,16H,6-7H2,1-5H3
InChIKeyMVFPBEURBHRCAM-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.45
Rot. Bonds5

About diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate

diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (PubChem CID 623928) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
PubChem CID623928
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Namediethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccsc1
InChIInChI=1S/C18H23NO4S/c1-6-22-17(20)14-11(3)19(5)12(4)15(18(21)23-7-2)16(14)13-8-9-24-10-13/h8-10,16H,6-7H2,1-5H3
InChIKeyMVFPBEURBHRCAM-UHFFFAOYSA-N
XLogP3.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (CID 623928) is diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccsc1.
What is the InChIKey of diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is MVFPBEURBHRCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-6-22-17(20)14-11(3)19(5)12(4)15(18(21)23-7-2)16(14)13-8-9-24-10-13/h8-10,16H,6-7H2,1-5H3.
What are the key properties of diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 349.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,2,6-trimethyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 623928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).