N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide

C17H12F3N3OS — CID 113020253

IUPACN-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1cccs1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-3-5-12(6-4-11)22-15-8-7-13(10-21-15)23-16(24)14-2-1-9-25-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyIJSIXCMRXITQGV-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.16
Rot. Bonds4

About N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 113020253) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID113020253
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC NameN-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1cccs1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-3-5-12(6-4-11)22-15-8-7-13(10-21-15)23-16(24)14-2-1-9-25-14/h1-10H,(H,21,22)(H,23,24)
InChIKeyIJSIXCMRXITQGV-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-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113021087
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113022556

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide (CID 113020253) is N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1cccs1.
What is the InChIKey of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is IJSIXCMRXITQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)11-3-5-12(6-4-11)22-15-8-7-13(10-21-15)23-16(24)14-2-1-9-25-14/h1-10H,(H,21,22)(H,23,24).
What are the key properties of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[4-(trifluoromethyl)anilino]-3-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-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113020253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).