diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate

C19H25NO4S — CID 625852

IUPACdiethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(C)s1
InChIInChI=1S/C19H25NO4S/c1-7-23-18(21)15-12(4)20(6)13(5)16(19(22)24-8-2)17(15)14-10-9-11(3)25-14/h9-10,17H,7-8H2,1-6H3
InChIKeyYNDCSDABJFNNIR-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.76
Rot. Bonds5

About diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate

diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 625852) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate
PubChem CID625852
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Namediethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(C)s1
InChIInChI=1S/C19H25NO4S/c1-7-23-18(21)15-12(4)20(6)13(5)16(19(22)24-8-2)17(15)14-10-9-11(3)25-14/h9-10,17H,7-8H2,1-6H3
InChIKeyYNDCSDABJFNNIR-UHFFFAOYSA-N
XLogP3.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.76
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-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate (CID 625852) is diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(C)s1.
What is the InChIKey of diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is YNDCSDABJFNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-7-23-18(21)15-12(4)20(6)13(5)16(19(22)24-8-2)17(15)14-10-9-11(3)25-14/h9-10,17H,7-8H2,1-6H3.
What are the key properties of diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate?
diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 363.48 g/mol, XLogP of 3.76, 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-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 625852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).