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

C22H29N3O2S — CID 118771421

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118771421) 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-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118771421
• Molecular Formula: C22H29N3O2S
• Molecular Weight: 399.56 g/mol
• Exact Mass: 399.20
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)NC4CCC(O)CC4)csc3C2)nc1
• InChI: InChI=1S/C22H29N3O2S/c1-2-15-3-4-17(23-11-15)12-25-10-9-19-20(14-28-21(19)13-25)22(27)24-16-5-7-18(26)8-6-16/h3-4,11,14,16,18,26H,2,5-10,12-13H2,1H3,(H,24,27)
• InChIKey: SYZBAPGDLOLKBQ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.56
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118771421) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NC4CCC(O)CC4)csc3C2)nc1.

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

The InChIKey is SYZBAPGDLOLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-2-15-3-4-17(23-11-15)12-25-10-9-19-20(14-28-21(19)13-25)22(27)24-16-5-7-18(26)8-6-16/h3-4,11,14,16,18,26H,2,5-10,12-13H2,1H3,(H,24,27).

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118771421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).