5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide

C22H16N2OS — CID 141273560

IUPAC5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccs2)c1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C22H16N2OS/c25-22(19-12-18(14-23-15-19)16-6-2-1-3-7-16)24-20-9-4-8-17(13-20)21-10-5-11-26-21/h1-15H,(H,24,25)
InChIKeyFUENUVPYXZNQFZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.73
Rot. Bonds4

About 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide

5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 141273560) has the molecular formula C22H16N2OS and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
PubChem CID141273560
Molecular FormulaC22H16N2OS
Molecular Weight356.45 g/mol
Exact Mass356.10
IUPAC Name5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccs2)c1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C22H16N2OS/c25-22(19-12-18(14-23-15-19)16-6-2-1-3-7-16)24-20-9-4-8-17(13-20)21-10-5-11-26-21/h1-15H,(H,24,25)
InChIKeyFUENUVPYXZNQFZ-UHFFFAOYSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide (CID 141273560) is 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide is O=C(Nc1cccc(-c2cccs2)c1)c1cncc(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is FUENUVPYXZNQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS/c25-22(19-12-18(14-23-15-19)16-6-2-1-3-7-16)24-20-9-4-8-17(13-20)21-10-5-11-26-21/h1-15H,(H,24,25).
What are the key properties of 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide?
5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 141273560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).