3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H24N4O3S — CID 124958655

About 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124958655) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 124958655
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCOCC3)ccc2c1N
• InChI: InChI=1S/C19H24N4O3S/c1-21-17(24)16-15(20)12-4-5-13(22-18(12)27-16)14-3-2-8-23(14)19(25)11-6-9-26-10-7-11/h4-5,11,14H,2-3,6-10,20H2,1H3,(H,21,24)/t14-/m1/s1
• InChIKey: GHWTZLMTFNDTAZ-CQSZACIVSA-N
• XLogP: 2.33
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	2.33
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-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124958655) is 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCOCC3)ccc2c1N.

What is the InChIKey of 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is GHWTZLMTFNDTAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-21-17(24)16-15(20)12-4-5-13(22-18(12)27-16)14-3-2-8-23(14)19(25)11-6-9-26-10-7-11/h4-5,11,14H,2-3,6-10,20H2,1H3,(H,21,24)/t14-/m1/s1.

What are the key properties of 3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-methyl-6-[(2R)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.33, 3 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-(oxane-4-carbonyl)pyrrolidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124958655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).