3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide

C16H11FN2OS — CID 115645633

IUPAC3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1ccncc1F
InChIInChI=1S/C16H11FN2OS/c17-13-10-18-8-7-11(13)16(20)19-14-5-2-1-4-12(14)15-6-3-9-21-15/h1-10H,(H,19,20)
InChIKeyUJFZWAJUMZNQJK-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.20
Rot. Bonds3

About 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide

3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 115645633) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
PubChem CID115645633
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1ccncc1F
InChIInChI=1S/C16H11FN2OS/c17-13-10-18-8-7-11(13)16(20)19-14-5-2-1-4-12(14)15-6-3-9-21-15/h1-10H,(H,19,20)
InChIKeyUJFZWAJUMZNQJK-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
CID 111456737
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide
CID 16577558
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 115645903
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 103754168
5-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 47131134

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide (CID 115645633) is 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide is O=C(Nc1ccccc1-c1cccs1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is UJFZWAJUMZNQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-13-10-18-8-7-11(13)16(20)19-14-5-2-1-4-12(14)15-6-3-9-21-15/h1-10H,(H,19,20).
What are the key properties of 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide?
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 115645633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).