2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide

C18H22N4O2S — CID 66814918

About 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide

2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 66814918) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide
• PubChem CID: 66814918
• Molecular Formula: C18H22N4O2S
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.15
• IUPAC Name: 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide
• SMILES: CC(=O)N(C)c1cc2cnc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)cc2s1
• InChI: InChI=1S/C18H22N4O2S/c1-11(23)21(2)17-6-13-8-19-15(7-16(13)25-17)18(24)20-14-5-12-3-4-22(9-12)10-14/h6-8,12,14H,3-5,9-10H2,1-2H3,(H,20,24)/t12-,14-/m1/s1
• InChIKey: DCKLORDQFGEMIC-TZMCWYRMSA-N
• XLogP: 2.10
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide?

The IUPAC name of 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide (CID 66814918) is 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide.

What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide?

The canonical SMILES for 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide is CC(=O)N(C)c1cc2cnc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)cc2s1.

What is the InChIKey of 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide?

The InChIKey is DCKLORDQFGEMIC-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11(23)21(2)17-6-13-8-19-15(7-16(13)25-17)18(24)20-14-5-12-3-4-22(9-12)10-14/h6-8,12,14H,3-5,9-10H2,1-2H3,(H,20,24)/t12-,14-/m1/s1.

What are the key properties of 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide?

2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[acetyl(methyl)amino]-N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 66814918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).