2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide

C24H26N4O3 — CID 53031244

About 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 53031244) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
• PubChem CID: 53031244
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
• SMILES: COc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C24H26N4O3/c1-17-25-21-15-27(14-18-8-4-3-5-9-18)13-12-19(21)24(30)28(17)16-23(29)26-20-10-6-7-11-22(20)31-2/h3-11H,12-16H2,1-2H3,(H,26,29)
• InChIKey: NASIERXHMQWJQP-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide?

The IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide (CID 53031244) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide.

What is the SMILES notation for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide?

The canonical SMILES for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CCN(Cc1ccccc1)C2.

What is the InChIKey of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide?

The InChIKey is NASIERXHMQWJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-25-21-15-27(14-18-8-4-3-5-9-18)13-12-19(21)24(30)28(17)16-23(29)26-20-10-6-7-11-22(20)31-2/h3-11H,12-16H2,1-2H3,(H,26,29).

What are the key properties of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide?

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 53031244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).