3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide

C19H21N5O2S — CID 51260066

About 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide

3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (PubChem CID 51260066) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
• PubChem CID: 51260066
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
• SMILES: CSCCC(NC(=O)c1cccc(NC(C)=O)c1)c1nnc2ccccn12
• InChI: InChI=1S/C19H21N5O2S/c1-13(25)20-15-7-5-6-14(12-15)19(26)21-16(9-11-27-2)18-23-22-17-8-3-4-10-24(17)18/h3-8,10,12,16H,9,11H2,1-2H3,(H,20,25)(H,21,26)
• InChIKey: NUKZAQRWHUJURW-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

The IUPAC name of 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (CID 51260066) is 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.

What is the SMILES notation for 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

The canonical SMILES for 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is CSCCC(NC(=O)c1cccc(NC(C)=O)c1)c1nnc2ccccn12.

What is the InChIKey of 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

The InChIKey is NUKZAQRWHUJURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13(25)20-15-7-5-6-14(12-15)19(26)21-16(9-11-27-2)18-23-22-17-8-3-4-10-24(17)18/h3-8,10,12,16H,9,11H2,1-2H3,(H,20,25)(H,21,26).

What are the key properties of 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?

3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide has a molecular weight of 383.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is sourced from PubChem (CID 51260066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).