3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C₁₇H₁₃N₃O₂S — CID 45485795

About 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45485795) has the molecular formula C₁₇H₁₃N₃O₂S and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 45485795
• Molecular Formula: C₁₇H₁₃N₃O₂S
• Molecular Weight: 323.38 g/mol
• Exact Mass: 323.07
• IUPAC Name: 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(-c2cc3ccccc3o2)c2c(N)c(C(N)=O)sc2n1
• InChI: InChI=1S/C17H13N3O2S/c1-8-6-10(12-7-9-4-2-3-5-11(9)22-12)13-14(18)15(16(19)21)23-17(13)20-8/h2-7H,18H2,1H3,(H2,19,21)
• InChIKey: KFARXEUJQIEGIE-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 95.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.38
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 45485795) is 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(-c2cc3ccccc3o2)c2c(N)c(C(N)=O)sc2n1.

What is the InChIKey of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is KFARXEUJQIEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-8-6-10(12-7-9-4-2-3-5-11(9)22-12)13-14(18)15(16(19)21)23-17(13)20-8/h2-7H,18H2,1H3,(H2,19,21).

What are the key properties of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45485795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 45485795 — identifiers, structure, computed properties (public domain)

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