2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide

C18H17F3N2O2S — CID 121370730

IUPAC2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccnc(SC2CCC(O)CC2)c1
InChIInChI=1S/C18H17F3N2O2S/c19-14-8-11(9-15(20)17(14)21)23-18(25)10-5-6-22-16(7-10)26-13-3-1-12(24)2-4-13/h5-9,12-13,24H,1-4H2,(H,23,25)
InChIKeyTXRXHRWNCRYJDI-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide

2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 121370730) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide
PubChem CID121370730
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccnc(SC2CCC(O)CC2)c1
InChIInChI=1S/C18H17F3N2O2S/c19-14-8-11(9-15(20)17(14)21)23-18(25)10-5-6-22-16(7-10)26-13-3-1-12(24)2-4-13/h5-9,12-13,24H,1-4H2,(H,23,25)
InChIKeyTXRXHRWNCRYJDI-UHFFFAOYSA-N
XLogP4.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(4-hydroxycycloheptyl)sulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130425070
3-(4-hydroxycyclohexyl)sulfanyl-4-propyl-N-(3,4,5-trifluorophenyl)benzamide
CID 121391213
4-chloro-3-[(3R)-3-hydroxycyclopentyl]sulfanyl-N-(3,4,5-trifluorophenyl)benzamide;ethane;propane
CID 145366626
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
4-chloro-3-(4-hydroxy-5-methylcycloheptyl)sulfanyl-N-(3,4,5-trifluorophenyl)benzamide;ethane
CID 145366742
4-chloro-3-[(3S,5R)-3,5-dihydroxycyclohexyl]sulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130397361
2-(4-hydroxycyclohexyl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-1,2,4-benzothiadiazine-7-carboxamide
CID 146304050
4-chloro-3-[(8-hydroxy-3-bicyclo[3.2.1]octanyl)sulfanyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130401598
N-(3-chloro-4-fluorophenyl)-3-(4-hydroxycyclohexyl)sulfanyl-4-methylbenzamide
CID 121370731
6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide
CID 146301674
N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024633
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide (CID 121370730) is 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)c1ccnc(SC2CCC(O)CC2)c1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is TXRXHRWNCRYJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c19-14-8-11(9-15(20)17(14)21)23-18(25)10-5-6-22-16(7-10)26-13-3-1-12(24)2-4-13/h5-9,12-13,24H,1-4H2,(H,23,25).
What are the key properties of 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide?
2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 121370730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).