3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C21H20F2N4O2S — CID 110110482

About 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110110482) has the molecular formula C21H20F2N4O2S and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 110110482
• Molecular Formula: C21H20F2N4O2S
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.13
• IUPAC Name: 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2nc(C3CCCCN3C(=O)c3cc(F)cc(F)c3)ccc2c1N
• InChI: InChI=1S/C21H20F2N4O2S/c1-25-19(28)18-17(24)14-5-6-15(26-20(14)30-18)16-4-2-3-7-27(16)21(29)11-8-12(22)10-13(23)9-11/h5-6,8-10,16H,2-4,7,24H2,1H3,(H,25,28)
• InChIKey: PEAZMPVCHAAZGV-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 110110482) is 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc(C3CCCCN3C(=O)c3cc(F)cc(F)c3)ccc2c1N.

What is the InChIKey of 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is PEAZMPVCHAAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2S/c1-25-19(28)18-17(24)14-5-6-15(26-20(14)30-18)16-4-2-3-7-27(16)21(29)11-8-12(22)10-13(23)9-11/h5-6,8-10,16H,2-4,7,24H2,1H3,(H,25,28).

What are the key properties of 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110110482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).