6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H20F3N3S — CID 1086469

IUPAC6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCCN1CCCCC1
InChIInChI=1S/C17H20F3N3S/c18-17(19,20)14-10-15(12-4-5-12)22-16(13(14)11-21)24-9-8-23-6-2-1-3-7-23/h10,12H,1-9H2
InChIKeyMCEAUPBBZHUKDO-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.43
Rot. Bonds5

About 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1086469) has the molecular formula C17H20F3N3S and a molecular weight of 355.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1086469
Molecular FormulaC17H20F3N3S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC Name6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCCN1CCCCC1
InChIInChI=1S/C17H20F3N3S/c18-17(19,20)14-10-15(12-4-5-12)22-16(13(14)11-21)24-9-8-23-6-2-1-3-7-23/h10,12H,1-9H2
InChIKeyMCEAUPBBZHUKDO-UHFFFAOYSA-N
XLogP4.43
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1086469) is 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCCN1CCCCC1.
What is the InChIKey of 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MCEAUPBBZHUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3S/c18-17(19,20)14-10-15(12-4-5-12)22-16(13(14)11-21)24-9-8-23-6-2-1-3-7-23/h10,12H,1-9H2.
What are the key properties of 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 355.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1086469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).