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

C21H21FN4O2S — CID 125017189

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

3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 125017189) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 125017189
• Molecular Formula: C21H21FN4O2S
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.14
• IUPAC Name: 3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)c3ccccc3F)ccc2c1N
• InChI: InChI=1S/C21H21FN4O2S/c1-24-19(27)18-17(23)13-9-10-15(25-20(13)29-18)16-8-4-5-11-26(16)21(28)12-6-2-3-7-14(12)22/h2-3,6-7,9-10,16H,4-5,8,11,23H2,1H3,(H,24,27)/t16-/m1/s1
• InChIKey: XFRAJKAAEBDKQC-MRXNPFEDSA-N
• XLogP: 3.74
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 125017189) is 3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)c3ccccc3F)ccc2c1N.

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

The InChIKey is XFRAJKAAEBDKQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-24-19(27)18-17(23)13-9-10-15(25-20(13)29-18)16-8-4-5-11-26(16)21(28)12-6-2-3-7-14(12)22/h2-3,6-7,9-10,16H,4-5,8,11,23H2,1H3,(H,24,27)/t16-/m1/s1.

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

3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[(2R)-1-(2-fluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 125017189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).