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

C22H29N3O2S — CID 118786163

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118786163) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118786163
• Molecular Formula: C22H29N3O2S
• Molecular Weight: 399.56 g/mol
• Exact Mass: 399.20
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)NCC4CCCCO4)csc3C2)nc1
• InChI: InChI=1S/C22H29N3O2S/c1-2-16-6-7-17(23-11-16)13-25-9-8-19-20(15-28-21(19)14-25)22(26)24-12-18-5-3-4-10-27-18/h6-7,11,15,18H,2-5,8-10,12-14H2,1H3,(H,24,26)
• InChIKey: AAZHDPDYXXRUAK-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.56
LogP ≤ 5	3.56
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-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118786163) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-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-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NCC4CCCCO4)csc3C2)nc1.

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

The InChIKey is AAZHDPDYXXRUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-2-16-6-7-17(23-11-16)13-25-9-8-19-20(15-28-21(19)14-25)22(26)24-12-18-5-3-4-10-27-18/h6-7,11,15,18H,2-5,8-10,12-14H2,1H3,(H,24,26).

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.56, 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-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118786163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).