3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C20H23N5OS — CID 124966738

About 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124966738) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 124966738
• Molecular Formula: C20H23N5OS
• Molecular Weight: 381.51 g/mol
• Exact Mass: 381.16
• IUPAC Name: 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2nc([C@H]3CCCCN3Cc3cccnc3)ccc2c1N
• InChI: InChI=1S/C20H23N5OS/c1-22-19(26)18-17(21)14-7-8-15(24-20(14)27-18)16-6-2-3-10-25(16)12-13-5-4-9-23-11-13/h4-5,7-9,11,16H,2-3,6,10,12,21H2,1H3,(H,22,26)/t16-/m1/s1
• InChIKey: INWQPZLPUJHZNM-MRXNPFEDSA-N
• XLogP: 3.36
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124966738) is 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@H]3CCCCN3Cc3cccnc3)ccc2c1N.

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

The InChIKey is INWQPZLPUJHZNM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-22-19(26)18-17(21)14-7-8-15(24-20(14)27-18)16-6-2-3-10-25(16)12-13-5-4-9-23-11-13/h4-5,7-9,11,16H,2-3,6,10,12,21H2,1H3,(H,22,26)/t16-/m1/s1.

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

3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124966738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).