2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine

C20H20N2O4S — CID 72713959

IUPAC2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine
SMILESCCOc1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1-c1ccc(OC)nc1
InChIInChI=1S/C20H20N2O4S/c1-4-26-20-18(15-7-10-19(25-2)21-12-15)11-16(13-22-20)14-5-8-17(9-6-14)27(3,23)24/h5-13H,4H2,1-3H3
InChIKeyKFFMUGLVGWGMAS-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.62
Rot. Bonds6

About 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine

2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine (PubChem CID 72713959) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine
PubChem CID72713959
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine
SMILESCCOc1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1-c1ccc(OC)nc1
InChIInChI=1S/C20H20N2O4S/c1-4-26-20-18(15-7-10-19(25-2)21-12-15)11-16(13-22-20)14-5-8-17(9-6-14)27(3,23)24/h5-13H,4H2,1-3H3
InChIKeyKFFMUGLVGWGMAS-UHFFFAOYSA-N
XLogP3.62
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine (CID 72713959) is 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine is CCOc1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1-c1ccc(OC)nc1.
What is the InChIKey of 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine?
The InChIKey is KFFMUGLVGWGMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-4-26-20-18(15-7-10-19(25-2)21-12-15)11-16(13-22-20)14-5-8-17(9-6-14)27(3,23)24/h5-13H,4H2,1-3H3.
What are the key properties of 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine?
2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine has a molecular weight of 384.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 72713959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).