6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile

C22H20N2O3S — CID 70271927

IUPAC6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc(OC)c(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-4-15-5-7-17(8-6-15)21-20(13-18(14-23)22(24-21)27-2)16-9-11-19(12-10-16)28(3,25)26/h5-13H,4H2,1-3H3
InChIKeyFKWAUEXFAWHRCC-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.26
Rot. Bonds5

About 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile

6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile (PubChem CID 70271927) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
PubChem CID70271927
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2nc(OC)c(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-4-15-5-7-17(8-6-15)21-20(13-18(14-23)22(24-21)27-2)16-9-11-19(12-10-16)28(3,25)26/h5-13H,4H2,1-3H3
InChIKeyFKWAUEXFAWHRCC-UHFFFAOYSA-N
XLogP4.26
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile (CID 70271927) is 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile is CCc1ccc(-c2nc(OC)c(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile?
The InChIKey is FKWAUEXFAWHRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-4-15-5-7-17(8-6-15)21-20(13-18(14-23)22(24-21)27-2)16-9-11-19(12-10-16)28(3,25)26/h5-13H,4H2,1-3H3.
What are the key properties of 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile?
6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile has a molecular weight of 392.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 70271927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).