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

C22H27N5OS — CID 118777057

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118777057) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118777057
• Molecular Formula: C22H27N5OS
• Molecular Weight: 409.56 g/mol
• Exact Mass: 409.19
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4ncc(C)[nH]4)csc3C2)nc1
• InChI: InChI=1S/C22H27N5OS/c1-4-16-5-6-17(23-10-16)11-27-8-7-18-19(14-29-20(18)12-27)22(28)26(3)13-21-24-9-15(2)25-21/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,24,25)
• InChIKey: WQIRZKXLXNYORE-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.56
LogP ≤ 5	3.57
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-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118777057) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4ncc(C)[nH]4)csc3C2)nc1.

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

The InChIKey is WQIRZKXLXNYORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-4-16-5-6-17(23-10-16)11-27-8-7-18-19(14-29-20(18)12-27)22(28)26(3)13-21-24-9-15(2)25-21/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,24,25).

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.57, 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-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118777057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).