2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C18H20N4O3 — CID 151570395

About 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 151570395) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• PubChem CID: 151570395
• Molecular Formula: C18H20N4O3
• Molecular Weight: 340.38 g/mol
• Exact Mass: 340.15
• IUPAC Name: 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• SMILES: COc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)n2c1
• InChI: InChI=1S/C18H20N4O3/c1-12-4-6-14(7-5-12)13(2)19-17(23)11-22-18(24)21-10-15(25-3)8-9-16(21)20-22/h4-10,13H,11H2,1-3H3,(H,19,23)/t13-/m0/s1
• InChIKey: QEIATPJODRGNEO-ZDUSSCGKSA-N
• XLogP: 1.69
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.38
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The IUPAC name of 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 151570395) is 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The canonical SMILES for 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is COc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)n2c1.

What is the InChIKey of 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The InChIKey is QEIATPJODRGNEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-4-6-14(7-5-12)13(2)19-17(23)11-22-18(24)21-10-15(25-3)8-9-16(21)20-22/h4-10,13H,11H2,1-3H3,(H,19,23)/t13-/m0/s1.

What are the key properties of 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 151570395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).