N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

C19H15ClN6O2 — CID 53179442

About N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (PubChem CID 53179442) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
• PubChem CID: 53179442
• Molecular Formula: C19H15ClN6O2
• Molecular Weight: 394.82 g/mol
• Exact Mass: 394.09
• IUPAC Name: N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
• SMILES: O=C(Cc1nnc2cc(-c3nc(C4CC4)no3)ccn12)Nc1cccc(Cl)c1
• InChI: InChI=1S/C19H15ClN6O2/c20-13-2-1-3-14(9-13)21-17(27)10-16-24-23-15-8-12(6-7-26(15)16)19-22-18(25-28-19)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,21,27)
• InChIKey: QNDLGHGTFCLVJS-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 98.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.82
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (CID 53179442) is N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is O=C(Cc1nnc2cc(-c3nc(C4CC4)no3)ccn12)Nc1cccc(Cl)c1.

What is the InChIKey of N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

The InChIKey is QNDLGHGTFCLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c20-13-2-1-3-14(9-13)21-17(27)10-16-24-23-15-8-12(6-7-26(15)16)19-22-18(25-28-19)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,21,27).

What are the key properties of N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?

N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide has a molecular weight of 394.82 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 53179442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).