1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H19F3N4O3S — CID 133331662

IUPAC1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC(C(=O)NCC(F)(F)F)C2)nc1
InChIInChI=1S/C14H19F3N4O3S/c1-18-25(23,24)11-4-5-12(19-7-11)21-6-2-3-10(8-21)13(22)20-9-14(15,16)17/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,20,22)
InChIKeyGRHWGQFCYLTUEM-UHFFFAOYSA-N
MW380.39 g/mol
LogP0.88
Rot. Bonds5

About 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133331662) has the molecular formula C14H19F3N4O3S and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133331662
Molecular FormulaC14H19F3N4O3S
Molecular Weight380.39 g/mol
Exact Mass380.11
IUPAC Name1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC(C(=O)NCC(F)(F)F)C2)nc1
InChIInChI=1S/C14H19F3N4O3S/c1-18-25(23,24)11-4-5-12(19-7-11)21-6-2-3-10(8-21)13(22)20-9-14(15,16)17/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,20,22)
InChIKeyGRHWGQFCYLTUEM-UHFFFAOYSA-N
XLogP0.88
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133431532
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
1-(3-methyl-5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326898
1-(6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331698
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
CID 133355008
1-(4-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331690
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319
1-(3-methylsulfonyl-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133414224

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133331662) is 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CNS(=O)(=O)c1ccc(N2CCCC(C(=O)NCC(F)(F)F)C2)nc1.
What is the InChIKey of 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is GRHWGQFCYLTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3S/c1-18-25(23,24)11-4-5-12(19-7-11)21-6-2-3-10(8-21)13(22)20-9-14(15,16)17/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,20,22).
What are the key properties of 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133331662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).