2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C19H18F3N3OS — CID 1086366

IUPAC2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCN1CCOCC1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)16-12-17(14-4-2-1-3-5-14)24-18(15(16)13-23)27-11-8-25-6-9-26-10-7-25/h1-5,12H,6-11H2
InChIKeyCCXNJKDWXBGWQU-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.06
Rot. Bonds5

About 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1086366) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1086366
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCN1CCOCC1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)16-12-17(14-4-2-1-3-5-14)24-18(15(16)13-23)27-11-8-25-6-9-26-10-7-25/h1-5,12H,6-11H2
InChIKeyCCXNJKDWXBGWQU-UHFFFAOYSA-N
XLogP4.06
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1086366) is 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is CCXNJKDWXBGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c20-19(21,22)16-12-17(14-4-2-1-3-5-14)24-18(15(16)13-23)27-11-8-25-6-9-26-10-7-25/h1-5,12H,6-11H2.
What are the key properties of 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 393.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1086366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).