6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

C19H14N2OS — CID 45268733

IUPAC6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccsc1)c1ccc(C#Cc2ccccc2)nc1
InChIInChI=1S/C19H14N2OS/c22-19(21-12-16-10-11-23-14-16)17-7-9-18(20-13-17)8-6-15-4-2-1-3-5-15/h1-5,7,9-11,13-14H,12H2,(H,21,22)
InChIKeyBFGPEZRNJVDHQO-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.47
Rot. Bonds3

About 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 45268733) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
PubChem CID45268733
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccsc1)c1ccc(C#Cc2ccccc2)nc1
InChIInChI=1S/C19H14N2OS/c22-19(21-12-16-10-11-23-14-16)17-7-9-18(20-13-17)8-6-15-4-2-1-3-5-15/h1-5,7,9-11,13-14H,12H2,(H,21,22)
InChIKeyBFGPEZRNJVDHQO-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (CID 45268733) is 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccsc1)c1ccc(C#Cc2ccccc2)nc1.
What is the InChIKey of 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BFGPEZRNJVDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-19(21-12-16-10-11-23-14-16)17-7-9-18(20-13-17)8-6-15-4-2-1-3-5-15/h1-5,7,9-11,13-14H,12H2,(H,21,22).
What are the key properties of 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethynyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45268733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).