2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H12F3N3OS — CID 79875294

IUPAC2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1ccsc1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)10-2-1-9(11(17)20)12(19-10)18-5-3-8-4-6-21-7-8/h1-2,4,6-7H,3,5H2,(H2,17,20)(H,18,19)
InChIKeyWSLVLSBVDFGUEC-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875294) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875294
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1ccsc1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)10-2-1-9(11(17)20)12(19-10)18-5-3-8-4-6-21-7-8/h1-2,4,6-7H,3,5H2,(H2,17,20)(H,18,19)
InChIKeyWSLVLSBVDFGUEC-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876209
2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875665
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875536
2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875539
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-[(3-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869147
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
4-(2-thiophen-3-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62711532

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875294) is 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NCCc1ccsc1.
What is the InChIKey of 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WSLVLSBVDFGUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c14-13(15,16)10-2-1-9(11(17)20)12(19-10)18-5-3-8-4-6-21-7-8/h1-2,4,6-7H,3,5H2,(H2,17,20)(H,18,19).
What are the key properties of 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).