6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride

C18H21ClN3O2S- — CID 53313256

About 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride

6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (PubChem CID 53313256) has the molecular formula C18H21ClN3O2S- and a molecular weight of 378.91 g/mol. Its IUPAC name is 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.

Molecular Properties

• Compound Name: 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
• PubChem CID: 53313256
• Molecular Formula: C18H21ClN3O2S-
• Molecular Weight: 378.91 g/mol
• Exact Mass: 378.10
• IUPAC Name: 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
• SMILES: CCC(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.[Cl-]
• InChI: InChI=1S/C18H21N3O2S.ClH/c1-2-15(22)20-18-16(17(19)23)13-8-9-21(11-14(13)24-18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11H2,1H3,(H2,19,23)(H,20,22);1H/p-1
• InChIKey: XMVPGQUFPNLKFW-UHFFFAOYSA-M
• XLogP: -0.24
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.91
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?

The IUPAC name of 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (CID 53313256) is 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.

What is the SMILES notation for 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?

The canonical SMILES for 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride is CCC(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.[Cl-].

What is the InChIKey of 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?

The InChIKey is XMVPGQUFPNLKFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21N3O2S.ClH/c1-2-15(22)20-18-16(17(19)23)13-8-9-21(11-14(13)24-18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11H2,1H3,(H2,19,23)(H,20,22);1H/p-1.

What are the key properties of 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride?

6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride has a molecular weight of 378.91 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride is sourced from PubChem (CID 53313256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).