ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate

C16H18N2O3S — CID 133363565

IUPACethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCOC(c3cccs3)C2)nc1
InChIInChI=1S/C16H18N2O3S/c1-2-20-16(19)12-5-6-15(17-10-12)18-7-8-21-13(11-18)14-4-3-9-22-14/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyJVNYWSNNIJNIGO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.90
Rot. Bonds4

About ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate

ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate (PubChem CID 133363565) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
PubChem CID133363565
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCOC(c3cccs3)C2)nc1
InChIInChI=1S/C16H18N2O3S/c1-2-20-16(19)12-5-6-15(17-10-12)18-7-8-21-13(11-18)14-4-3-9-22-14/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyJVNYWSNNIJNIGO-UHFFFAOYSA-N
XLogP2.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate (CID 133363565) is ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCOC(c3cccs3)C2)nc1.
What is the InChIKey of ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
The InChIKey is JVNYWSNNIJNIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-20-16(19)12-5-6-15(17-10-12)18-7-8-21-13(11-18)14-4-3-9-22-14/h3-6,9-10,13H,2,7-8,11H2,1H3.
What are the key properties of ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133363565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).