N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

C21H20N6O3 — CID 53156714

About N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (PubChem CID 53156714) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
• PubChem CID: 53156714
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
• SMILES: COc1ccc(C)cc1NC(=O)Cn1nc2cc(-c3ccncc3)nc(C)n2c1=O
• InChI: InChI=1S/C21H20N6O3/c1-13-4-5-18(30-3)17(10-13)24-20(28)12-26-21(29)27-14(2)23-16(11-19(27)25-26)15-6-8-22-9-7-15/h4-11H,12H2,1-3H3,(H,24,28)
• InChIKey: YTGOMRJUSSKIMU-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 103.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (CID 53156714) is N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is COc1ccc(C)cc1NC(=O)Cn1nc2cc(-c3ccncc3)nc(C)n2c1=O.

What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The InChIKey is YTGOMRJUSSKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-13-4-5-18(30-3)17(10-13)24-20(28)12-26-21(29)27-14(2)23-16(11-19(27)25-26)15-6-8-22-9-7-15/h4-11H,12H2,1-3H3,(H,24,28).

What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide has a molecular weight of 404.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 53156714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).