3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide

C21H15F3N4O2S — CID 87047876

About 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 87047876) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 87047876
• Molecular Formula: C21H15F3N4O2S
• Molecular Weight: 444.44 g/mol
• Exact Mass: 444.09
• IUPAC Name: 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(F)(F)F)cn4)sc3n2)c1
• InChI: InChI=1S/C21H15F3N4O2S/c1-30-13-4-2-3-11(9-13)15-7-6-14-17(25)18(31-20(14)27-15)19(29)28-16-8-5-12(10-26-16)21(22,23)24/h2-10H,25H2,1H3,(H,26,28,29)
• InChIKey: CXEMEGAYCMUSPA-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.44
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide (CID 87047876) is 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(F)(F)F)cn4)sc3n2)c1.

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

The InChIKey is CXEMEGAYCMUSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c1-30-13-4-2-3-11(9-13)15-7-6-14-17(25)18(31-20(14)27-15)19(29)28-16-8-5-12(10-26-16)21(22,23)24/h2-10H,25H2,1H3,(H,26,28,29).

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

3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 87047876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).