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

C24H26N4O2 — CID 53109812

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

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 53109812) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 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-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
• PubChem CID: 53109812
• Molecular Formula: C24H26N4O2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.21
• IUPAC Name: 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1
• InChI: InChI=1S/C24H26N4O2/c1-17-8-10-20(11-9-17)26-23(29)16-28-18(2)25-22-15-27(13-12-21(22)24(28)30)14-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,26,29)
• InChIKey: TYMHHFIXEHOHSY-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(4-methylphenyl)acetamide?

The IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide (CID 53109812) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)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-(4-methylphenyl)acetamide?

The canonical SMILES for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1.

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

The InChIKey is TYMHHFIXEHOHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-8-10-20(11-9-17)26-23(29)16-28-18(2)25-22-15-27(13-12-21(22)24(28)30)14-19-6-4-3-5-7-19/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-(4-methylphenyl)acetamide?

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 53109812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).