N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide

C17H12F3N3OS — CID 113034907

IUPACN-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1cccs1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-3-5-12(6-4-11)22-13-7-8-15(21-10-13)23-16(24)14-2-1-9-25-14/h1-10,22H,(H,21,23,24)
InChIKeySVHJXRODIGWWRD-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.16
Rot. Bonds4

About N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide

N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113034907) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113034907
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC NameN-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1cccs1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-3-5-12(6-4-11)22-13-7-8-15(21-10-13)23-16(24)14-2-1-9-25-14/h1-10,22H,(H,21,23,24)
InChIKeySVHJXRODIGWWRD-UHFFFAOYSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
N-[5-(3-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037150
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031951
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113026990

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide (CID 113034907) is N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)cn1)c1cccs1.
What is the InChIKey of N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is SVHJXRODIGWWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)11-3-5-12(6-4-11)22-13-7-8-15(21-10-13)23-16(24)14-2-1-9-25-14/h1-10,22H,(H,21,23,24).
What are the key properties of N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide?
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113034907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).