N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide

C15H14N4OS — CID 43599763

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide (PubChem CID 43599763) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide
• PubChem CID: 43599763
• Molecular Formula: C15H14N4OS
• Molecular Weight: 298.37 g/mol
• Exact Mass: 298.09
• IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide
• SMILES: N#Cc1c(NC(=O)Cc2ccccn2)sc2c1CCNC2
• InChI: InChI=1S/C15H14N4OS/c16-8-12-11-4-6-17-9-13(11)21-15(12)19-14(20)7-10-3-1-2-5-18-10/h1-3,5,17H,4,6-7,9H2,(H,19,20)
• InChIKey: QVHCJKYMKXFFPQ-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 77.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.37
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide?

The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide (CID 43599763) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide?

The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide is N#Cc1c(NC(=O)Cc2ccccn2)sc2c1CCNC2.

What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide?

The InChIKey is QVHCJKYMKXFFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-8-12-11-4-6-17-9-13(11)21-15(12)19-14(20)7-10-3-1-2-5-18-10/h1-3,5,17H,4,6-7,9H2,(H,19,20).

What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide?

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide has a molecular weight of 298.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 43599763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).