N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide

C13H12F3N3OS — CID 131963289

IUPACN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)9-3-1-5-17-11(9)18-6-7-19-12(20)10-4-2-8-21-10/h1-5,8H,6-7H2,(H,17,18)(H,19,20)
InChIKeyYDGHLXNKRRKYJC-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.00
Rot. Bonds5

About N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide

N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 131963289) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID131963289
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)9-3-1-5-17-11(9)18-6-7-19-12(20)10-4-2-8-21-10/h1-5,8H,6-7H2,(H,17,18)(H,19,20)
InChIKeyYDGHLXNKRRKYJC-UHFFFAOYSA-N
XLogP3.00
TPSA54.02 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 ≤ 53.00
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

2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040895
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide
CID 86859159
1-ethyl-2-(2-thiophen-2-ylethyl)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine
CID 111350514
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51122393
1-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-3-carboxamide
CID 55834000
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933255
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide (CID 131963289) is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide is O=C(NCCNc1ncccc1C(F)(F)F)c1cccs1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is YDGHLXNKRRKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c14-13(15,16)9-3-1-5-17-11(9)18-6-7-19-12(20)10-4-2-8-21-10/h1-5,8H,6-7H2,(H,17,18)(H,19,20).
What are the key properties of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide?
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 131963289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).