6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H28N4OS — CID 118761967

About 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118761967) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118761967
• Molecular Formula: C21H28N4OS
• Molecular Weight: 384.55 g/mol
• Exact Mass: 384.20
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)NC4CCN(C)C4)csc3C2)nc1
• InChI: InChI=1S/C21H28N4OS/c1-3-15-4-5-16(22-10-15)12-25-9-7-18-19(14-27-20(18)13-25)21(26)23-17-6-8-24(2)11-17/h4-5,10,14,17H,3,6-9,11-13H2,1-2H3,(H,23,26)
• InChIKey: WPJOKVUTEGNNRN-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.55
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118761967) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NC4CCN(C)C4)csc3C2)nc1.

What is the InChIKey of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is WPJOKVUTEGNNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-3-15-4-5-16(22-10-15)12-25-9-7-18-19(14-27-20(18)13-25)21(26)23-17-6-8-24(2)11-17/h4-5,10,14,17H,3,6-9,11-13H2,1-2H3,(H,23,26).

What are the key properties of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118761967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).