N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide

C16H12Cl2N4O3S — CID 7878452

About N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide

N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide (PubChem CID 7878452) has the molecular formula C16H12Cl2N4O3S and a molecular weight of 411.27 g/mol. Its IUPAC name is N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide
• PubChem CID: 7878452
• Molecular Formula: C16H12Cl2N4O3S
• Molecular Weight: 411.27 g/mol
• Exact Mass: 410.00
• IUPAC Name: N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide
• SMILES: COc1ccccc1C(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
• InChI: InChI=1S/C16H12Cl2N4O3S/c1-25-12-5-3-2-4-10(12)15(24)19-13(23)8-26-16-21-20-14-11(18)6-9(17)7-22(14)16/h2-7H,8H2,1H3,(H,19,23,24)
• InChIKey: PXLGHYMHZWJNPH-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.27
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide?

The IUPAC name of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide (CID 7878452) is N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide.

What is the SMILES notation for N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide?

The canonical SMILES for N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12.

What is the InChIKey of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide?

The InChIKey is PXLGHYMHZWJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3S/c1-25-12-5-3-2-4-10(12)15(24)19-13(23)8-26-16-21-20-14-11(18)6-9(17)7-22(14)16/h2-7H,8H2,1H3,(H,19,23,24).

What are the key properties of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide?

N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide has a molecular weight of 411.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide is sourced from PubChem (CID 7878452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).