4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile

C23H22N2O2S — CID 3498792

IUPAC4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2OC)c1C#N
InChIInChI=1S/C23H22N2O2S/c1-4-13-28-23-20(15-24)19(18-7-5-6-8-22(18)27-3)14-21(25-23)16-9-11-17(26-2)12-10-16/h5-12,14H,4,13H2,1-3H3
InChIKeyIWLAPPUIGMHZRF-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.81
Rot. Bonds7

About 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile

4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile (PubChem CID 3498792) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile
PubChem CID3498792
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2OC)c1C#N
InChIInChI=1S/C23H22N2O2S/c1-4-13-28-23-20(15-24)19(18-7-5-6-8-22(18)27-3)14-21(25-23)16-9-11-17(26-2)12-10-16/h5-12,14H,4,13H2,1-3H3
InChIKeyIWLAPPUIGMHZRF-UHFFFAOYSA-N
XLogP5.81
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile (CID 3498792) is 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile is CCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2OC)c1C#N.
What is the InChIKey of 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile?
The InChIKey is IWLAPPUIGMHZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-4-13-28-23-20(15-24)19(18-7-5-6-8-22(18)27-3)14-21(25-23)16-9-11-17(26-2)12-10-16/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile?
4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile has a molecular weight of 390.51 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-2-propylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 3498792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).