3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H23N3O4S — CID 162421447

About 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 162421447) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 162421447
• Molecular Formula: C24H23N3O4S
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.14
• IUPAC Name: 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(NC(=O)c2sc3nc(C)c(C(O)c4ccc(OC)cc4)cc3c2N)cc1
• InChI: InChI=1S/C24H23N3O4S/c1-13-18(21(28)14-4-8-16(30-2)9-5-14)12-19-20(25)22(32-24(19)26-13)23(29)27-15-6-10-17(31-3)11-7-15/h4-12,21,28H,25H2,1-3H3,(H,27,29)
• InChIKey: ZPUJZZWHJKIMSJ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 106.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 162421447) is 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3nc(C)c(C(O)c4ccc(OC)cc4)cc3c2N)cc1.

What is the InChIKey of 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ZPUJZZWHJKIMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-13-18(21(28)14-4-8-16(30-2)9-5-14)12-19-20(25)22(32-24(19)26-13)23(29)27-15-6-10-17(31-3)11-7-15/h4-12,21,28H,25H2,1-3H3,(H,27,29).

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

3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 162421447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).