2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide

C20H18N6O2 — CID 171146354

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

2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 171146354) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide
• PubChem CID: 171146354
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide
• SMILES: CC(=Cc1ccccc1)C(=O)NCc1nnc2c(-c3nc(C)no3)cccn12
• InChI: InChI=1S/C20H18N6O2/c1-13(11-15-7-4-3-5-8-15)19(27)21-12-17-23-24-18-16(9-6-10-26(17)18)20-22-14(2)25-28-20/h3-11H,12H2,1-2H3,(H,21,27)
• InChIKey: SYTCKBHGONWFKX-UHFFFAOYSA-N
• XLogP: 2.81
• 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	374.40
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide (CID 171146354) is 2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide.

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

The canonical SMILES for 2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide is CC(=Cc1ccccc1)C(=O)NCc1nnc2c(-c3nc(C)no3)cccn12.

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

The InChIKey is SYTCKBHGONWFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13(11-15-7-4-3-5-8-15)19(27)21-12-17-23-24-18-16(9-6-10-26(17)18)20-22-14(2)25-28-20/h3-11H,12H2,1-2H3,(H,21,27).

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

2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 374.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171146354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).