3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C30H27N3O4S — CID 3165794

About 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3165794) has the molecular formula C30H27N3O4S and a molecular weight of 525.63 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 3165794
• Molecular Formula: C30H27N3O4S
• Molecular Weight: 525.63 g/mol
• Exact Mass: 525.17
• IUPAC Name: 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccccc4OC)c3c2N)c1
• InChI: InChI=1S/C30H27N3O4S/c1-17-9-11-18(12-10-17)22-16-21(20-7-5-6-8-24(20)36-3)26-27(31)28(38-30(26)33-22)29(34)32-23-15-19(35-2)13-14-25(23)37-4/h5-16H,31H2,1-4H3,(H,32,34)
• InChIKey: CDVNKLMFDOOUAG-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 95.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.63
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3165794) is 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccccc4OC)c3c2N)c1.

What is the InChIKey of 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is CDVNKLMFDOOUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4S/c1-17-9-11-18(12-10-17)22-16-21(20-7-5-6-8-24(20)36-3)26-27(31)28(38-30(26)33-22)29(34)32-23-15-19(35-2)13-14-25(23)37-4/h5-16H,31H2,1-4H3,(H,32,34).

What are the key properties of 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 6.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3165794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).