N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

C18H17N7O2 — CID 91892948

About N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 91892948) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 91892948
• Molecular Formula: C18H17N7O2
• Molecular Weight: 363.38 g/mol
• Exact Mass: 363.14
• IUPAC Name: N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: CC(C)c1noc(-c2cccn3c(CNC(=O)c4cccnc4)nnc23)n1
• InChI: InChI=1S/C18H17N7O2/c1-11(2)15-21-18(27-24-15)13-6-4-8-25-14(22-23-16(13)25)10-20-17(26)12-5-3-7-19-9-12/h3-9,11H,10H2,1-2H3,(H,20,26)
• InChIKey: IKHGQDVWFOMVSU-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 111.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.38
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (CID 91892948) is N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is CC(C)c1noc(-c2cccn3c(CNC(=O)c4cccnc4)nnc23)n1.

What is the InChIKey of N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is IKHGQDVWFOMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-11(2)15-21-18(27-24-15)13-6-4-8-25-14(22-23-16(13)25)10-20-17(26)12-5-3-7-19-9-12/h3-9,11H,10H2,1-2H3,(H,20,26).

What are the key properties of N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?

N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91892948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).