3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide

C22H26N4O3S — CID 45142481

About 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45142481) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 45142481
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NCc3ccccc3)c(N)c12
• InChI: InChI=1S/C22H26N4O3S/c1-15-13-17(29-12-9-26-7-10-28-11-8-26)25-22-18(15)19(23)20(30-22)21(27)24-14-16-5-3-2-4-6-16/h2-6,13H,7-12,14,23H2,1H3,(H,24,27)
• InChIKey: HYJOSUWSYHHNBL-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 89.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide (CID 45142481) is 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NCc3ccccc3)c(N)c12.

What is the InChIKey of 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is HYJOSUWSYHHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-13-17(29-12-9-26-7-10-28-11-8-26)25-22-18(15)19(23)20(30-22)21(27)24-14-16-5-3-2-4-6-16/h2-6,13H,7-12,14,23H2,1H3,(H,24,27).

What are the key properties of 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-benzyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45142481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).