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

C19H21N5OS — CID 124948423

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

3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124948423) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 124948423
• Molecular Formula: C19H21N5OS
• Molecular Weight: 367.48 g/mol
• Exact Mass: 367.15
• IUPAC Name: 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2nc([C@H]3CCCN3Cc3cccnc3)ccc2c1N
• InChI: InChI=1S/C19H21N5OS/c1-21-18(25)17-16(20)13-6-7-14(23-19(13)26-17)15-5-3-9-24(15)11-12-4-2-8-22-10-12/h2,4,6-8,10,15H,3,5,9,11,20H2,1H3,(H,21,25)/t15-/m1/s1
• InChIKey: CMSOMXWGYIVHFO-OAHLLOKOSA-N
• XLogP: 2.97
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.48
LogP ≤ 5	2.97
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)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124948423) is 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-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)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@H]3CCCN3Cc3cccnc3)ccc2c1N.

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

The InChIKey is CMSOMXWGYIVHFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-21-18(25)17-16(20)13-6-7-14(23-19(13)26-17)15-5-3-9-24(15)11-12-4-2-8-22-10-12/h2,4,6-8,10,15H,3,5,9,11,20H2,1H3,(H,21,25)/t15-/m1/s1.

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

3-amino-N-methyl-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.97, 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)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124948423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).