N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide

C23H22N4O3 — CID 55762938

About N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide

N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide (PubChem CID 55762938) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide.

Molecular Properties

• Compound Name: N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide
• PubChem CID: 55762938
• Molecular Formula: C23H22N4O3
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.17
• IUPAC Name: N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide
• SMILES: CC(OCc1ccccc1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
• InChI: InChI=1S/C23H22N4O3/c1-17(30-16-18-8-3-2-4-9-18)22(28)24-20-11-7-10-19(14-20)15-27-23(29)26-13-6-5-12-21(26)25-27/h2-14,17H,15-16H2,1H3,(H,24,28)
• InChIKey: XOSWDLZCICUOTF-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide?

The IUPAC name of N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide (CID 55762938) is N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide.

What is the SMILES notation for N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide?

The canonical SMILES for N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.

What is the InChIKey of N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide?

The InChIKey is XOSWDLZCICUOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-17(30-16-18-8-3-2-4-9-18)22(28)24-20-11-7-10-19(14-20)15-27-23(29)26-13-6-5-12-21(26)25-27/h2-14,17H,15-16H2,1H3,(H,24,28).

What are the key properties of N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide?

N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide has a molecular weight of 402.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 55762938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).