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

C27H22N4O2S — CID 23830129

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

3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23830129) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23830129
• Molecular Formula: C27H22N4O2S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.15
• IUPAC Name: 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C)cn4)c(N)c23)cc1
• InChI: InChI=1S/C27H22N4O2S/c1-16-8-13-22(29-15-16)31-26(32)25-24(28)23-20(17-9-11-19(33-2)12-10-17)14-21(30-27(23)34-25)18-6-4-3-5-7-18/h3-15H,28H2,1-2H3,(H,29,31,32)
• InChIKey: DSMFOUJBMGYOJC-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23830129) is 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C)cn4)c(N)c23)cc1.

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

The InChIKey is DSMFOUJBMGYOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c1-16-8-13-22(29-15-16)31-26(32)25-24(28)23-20(17-9-11-19(33-2)12-10-17)14-21(30-27(23)34-25)18-6-4-3-5-7-18/h3-15H,28H2,1-2H3,(H,29,31,32).

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

3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23830129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).