N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide

C17H20N3OS2+ — CID 6957449

About N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide (PubChem CID 6957449) has the molecular formula C17H20N3OS2+ and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide
• PubChem CID: 6957449
• Molecular Formula: C17H20N3OS2+
• Molecular Weight: 346.50 g/mol
• Exact Mass: 346.10
• IUPAC Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide
• SMILES: CC1(C)Cc2c(sc(NC(=O)c3cccs3)c2C#N)C(C)(C)[NH2+]1
• InChI: InChI=1S/C17H19N3OS2/c1-16(2)8-10-11(9-18)15(23-13(10)17(3,4)20-16)19-14(21)12-6-5-7-22-12/h5-7,20H,8H2,1-4H3,(H,19,21)/p+1
• InChIKey: QYELWOTYSGYDOU-UHFFFAOYSA-O
• XLogP: 3.07
• TPSA: 69.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.50
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide?

The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide (CID 6957449) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide?

The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide is CC1(C)Cc2c(sc(NC(=O)c3cccs3)c2C#N)C(C)(C)[NH2+]1.

What is the InChIKey of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide?

The InChIKey is QYELWOTYSGYDOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19N3OS2/c1-16(2)8-10-11(9-18)15(23-13(10)17(3,4)20-16)19-14(21)12-6-5-7-22-12/h5-7,20H,8H2,1-4H3,(H,19,21)/p+1.

What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide?

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6957449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).