N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C15H17F3N2O3S — CID 71881401

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)24(22,23)14-12(7-4-9-20-14)13(21)19-10-8-11-5-2-1-3-6-11/h4-5,7,9H,1-3,6,8,10H2,(H,19,21)
InChIKeyMUPTXCHSXCOAIY-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 71881401) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID71881401
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cccnc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)24(22,23)14-12(7-4-9-20-14)13(21)19-10-8-11-5-2-1-3-6-11/h4-5,7,9H,1-3,6,8,10H2,(H,19,21)
InChIKeyMUPTXCHSXCOAIY-UHFFFAOYSA-N
XLogP3.00
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704348
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridine-3-carboxamide
CID 5151631
N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500916
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500520
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate
CID 60712823

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 71881401) is N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is O=C(NCCC1=CCCCC1)c1cccnc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is MUPTXCHSXCOAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c16-15(17,18)24(22,23)14-12(7-4-9-20-14)13(21)19-10-8-11-5-2-1-3-6-11/h4-5,7,9H,1-3,6,8,10H2,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 71881401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).