3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide

C11H13ClF3N3OS — CID 106432994

IUPAC3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCCSC(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3OS/c1-2-16-8-4-3-7(12)9(18-8)10(19)17-5-6-20-11(13,14)15/h3-4H,2,5-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyGEMLGJYVAYNJPW-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.15
Rot. Bonds6

About 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide (PubChem CID 106432994) has the molecular formula C11H13ClF3N3OS and a molecular weight of 327.76 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide
PubChem CID106432994
Molecular FormulaC11H13ClF3N3OS
Molecular Weight327.76 g/mol
Exact Mass327.04
IUPAC Name3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCCSC(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3OS/c1-2-16-8-4-3-7(12)9(18-8)10(19)17-5-6-20-11(13,14)15/h3-4H,2,5-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyGEMLGJYVAYNJPW-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62180159
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62179575
3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62170609
3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 106050133
3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107486136
3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422842
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963599
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide (CID 106432994) is 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NCCSC(F)(F)F)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide?
The InChIKey is GEMLGJYVAYNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3OS/c1-2-16-8-4-3-7(12)9(18-8)10(19)17-5-6-20-11(13,14)15/h3-4H,2,5-6H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide has a molecular weight of 327.76 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 106432994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).