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

C21H27N3O2S — CID 118780245

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118780245) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118780245
• Molecular Formula: C21H27N3O2S
• Molecular Weight: 385.53 g/mol
• Exact Mass: 385.18
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)NCC4CCCO4)csc3C2)nc1
• InChI: InChI=1S/C21H27N3O2S/c1-2-15-5-6-16(22-10-15)12-24-8-7-18-19(14-27-20(18)13-24)21(25)23-11-17-4-3-9-26-17/h5-6,10,14,17H,2-4,7-9,11-13H2,1H3,(H,23,25)
• InChIKey: ZNYYGCVENQTZPM-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.53
LogP ≤ 5	3.17
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-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118780245) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NCC4CCCO4)csc3C2)nc1.

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

The InChIKey is ZNYYGCVENQTZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-2-15-5-6-16(22-10-15)12-24-8-7-18-19(14-27-20(18)13-24)21(25)23-11-17-4-3-9-26-17/h5-6,10,14,17H,2-4,7-9,11-13H2,1H3,(H,23,25).

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.17, 6 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-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118780245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).