3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide

C21H25N3O2S2 — CID 17479577

About 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide

3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 17479577) has the molecular formula C21H25N3O2S2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 17479577
• Molecular Formula: C21H25N3O2S2
• Molecular Weight: 415.58 g/mol
• Exact Mass: 415.14
• IUPAC Name: 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C)c2c(C)c(C(=O)NCC(c3cccs3)N3CCOCC3)sc2n1
• InChI: InChI=1S/C21H25N3O2S2/c1-13-11-14(2)23-21-18(13)15(3)19(28-21)20(25)22-12-16(17-5-4-10-27-17)24-6-8-26-9-7-24/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,22,25)
• InChIKey: BAGNEXYRDHRXDE-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.58
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 17479577) is 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)NCC(c3cccs3)N3CCOCC3)sc2n1.

What is the InChIKey of 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is BAGNEXYRDHRXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S2/c1-13-11-14(2)23-21-18(13)15(3)19(28-21)20(25)22-12-16(17-5-4-10-27-17)24-6-8-26-9-7-24/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,22,25).

What are the key properties of 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide?

3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 17479577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).