3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide

C17H24N4O3S — CID 91833718

About 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide

3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide (PubChem CID 91833718) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide
• PubChem CID: 91833718
• Molecular Formula: C17H24N4O3S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.16
• IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide
• SMILES: Cc1cccn2c(CNC(=O)CCN(C)C3CCS(=O)(=O)C3)cnc12
• InChI: InChI=1S/C17H24N4O3S/c1-13-4-3-7-21-15(11-19-17(13)21)10-18-16(22)5-8-20(2)14-6-9-25(23,24)12-14/h3-4,7,11,14H,5-6,8-10,12H2,1-2H3,(H,18,22)
• InChIKey: CGMNCHCNNKFTKD-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 83.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide?

The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide (CID 91833718) is 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide.

What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide?

The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide is Cc1cccn2c(CNC(=O)CCN(C)C3CCS(=O)(=O)C3)cnc12.

What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide?

The InChIKey is CGMNCHCNNKFTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13-4-3-7-21-15(11-19-17(13)21)10-18-16(22)5-8-20(2)14-6-9-25(23,24)12-14/h3-4,7,11,14H,5-6,8-10,12H2,1-2H3,(H,18,22).

What are the key properties of 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide?

3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide has a molecular weight of 364.47 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 91833718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).