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

C16H18N2O3S — CID 133420343

IUPACmethyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCOC(c3cccs3)C2)nc1C
InChIInChI=1S/C16H18N2O3S/c1-11-12(16(19)20-2)5-6-15(17-11)18-7-8-21-13(10-18)14-4-3-9-22-14/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyKRDAHXBGAAMYND-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.82
Rot. Bonds3

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

methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate (PubChem CID 133420343) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
PubChem CID133420343
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namemethyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCOC(c3cccs3)C2)nc1C
InChIInChI=1S/C16H18N2O3S/c1-11-12(16(19)20-2)5-6-15(17-11)18-7-8-21-13(10-18)14-4-3-9-22-14/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyKRDAHXBGAAMYND-UHFFFAOYSA-N
XLogP2.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate (CID 133420343) is methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCOC(c3cccs3)C2)nc1C.
What is the InChIKey of methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
The InChIKey is KRDAHXBGAAMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-12(16(19)20-2)5-6-15(17-11)18-7-8-21-13(10-18)14-4-3-9-22-14/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate?
methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133420343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).