3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C18H22F3N3OS — CID 55723575

About 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 55723575) has the molecular formula C18H22F3N3OS and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 55723575
• Molecular Formula: C18H22F3N3OS
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.14
• IUPAC Name: 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)NCCN2CCCC(C)C2)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C18H22F3N3OS/c1-11-4-3-8-24(10-11)9-7-22-16(25)15-12(2)13-5-6-14(18(19,20)21)23-17(13)26-15/h5-6,11H,3-4,7-10H2,1-2H3,(H,22,25)
• InChIKey: JEOBLJUSEDSUFZ-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 55723575) is 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NCCN2CCCC(C)C2)sc2nc(C(F)(F)F)ccc12.

What is the InChIKey of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JEOBLJUSEDSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3OS/c1-11-4-3-8-24(10-11)9-7-22-16(25)15-12(2)13-5-6-14(18(19,20)21)23-17(13)26-15/h5-6,11H,3-4,7-10H2,1-2H3,(H,22,25).

What are the key properties of 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 55723575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).