3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine

C23H24N2OS — CID 139383936

IUPAC3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine
SMILESc1ccc(SCC2CCC(Oc3cccnc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C23H24N2OS/c1-2-5-21(6-3-1)27-17-18-8-10-20(11-9-18)26-22-7-4-14-25-23(22)19-12-15-24-16-13-19/h1-7,12-16,18,20H,8-11,17H2
InChIKeyPAUDSDNQGILKTB-UHFFFAOYSA-N
MW376.52 g/mol
LogP5.87
Rot. Bonds6

About 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine

3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine (PubChem CID 139383936) has the molecular formula C23H24N2OS and a molecular weight of 376.52 g/mol. Its IUPAC name is 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine
PubChem CID139383936
Molecular FormulaC23H24N2OS
Molecular Weight376.52 g/mol
Exact Mass376.16
IUPAC Name3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine
SMILESc1ccc(SCC2CCC(Oc3cccnc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C23H24N2OS/c1-2-5-21(6-3-1)27-17-18-8-10-20(11-9-18)26-22-7-4-14-25-23(22)19-12-15-24-16-13-19/h1-7,12-16,18,20H,8-11,17H2
InChIKeyPAUDSDNQGILKTB-UHFFFAOYSA-N
XLogP5.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine 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 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine?
The IUPAC name of 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine (CID 139383936) is 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine.
What is the SMILES notation for 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine?
The canonical SMILES for 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine is c1ccc(SCC2CCC(Oc3cccnc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine?
The InChIKey is PAUDSDNQGILKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-2-5-21(6-3-1)27-17-18-8-10-20(11-9-18)26-22-7-4-14-25-23(22)19-12-15-24-16-13-19/h1-7,12-16,18,20H,8-11,17H2.
What are the key properties of 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine?
3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine has a molecular weight of 376.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine is sourced from PubChem (CID 139383936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).