3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C23H20FN3O2S — CID 1003840

About 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003840) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 1003840
• Molecular Formula: C23H20FN3O2S
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.13
• IUPAC Name: 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(F)cc4)sc3n2)c1
• InChI: InChI=1S/C23H20FN3O2S/c1-29-17-4-2-3-15(13-17)19-10-9-18-20(25)21(30-23(18)27-19)22(28)26-12-11-14-5-7-16(24)8-6-14/h2-10,13H,11-12,25H2,1H3,(H,26,28)
• InChIKey: YZQIYXJEKAMYDA-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1003840) is 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(F)cc4)sc3n2)c1.

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

The InChIKey is YZQIYXJEKAMYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-29-17-4-2-3-15(13-17)19-10-9-18-20(25)21(30-23(18)27-19)22(28)26-12-11-14-5-7-16(24)8-6-14/h2-10,13H,11-12,25H2,1H3,(H,26,28).

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

3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).