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

C27H32N4O2 — CID 53031422

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

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 53031422) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
• PubChem CID: 53031422
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
• SMILES: CCCc1nc2c(c(=O)n1CC(=O)NCc1ccc(C)cc1)CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C27H32N4O2/c1-3-7-25-29-24-18-30(17-22-8-5-4-6-9-22)15-14-23(24)27(33)31(25)19-26(32)28-16-21-12-10-20(2)11-13-21/h4-6,8-13H,3,7,14-19H2,1-2H3,(H,28,32)
• InChIKey: YUJRIZOXVSOOJA-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 53031422) is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

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

The canonical SMILES for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide is CCCc1nc2c(c(=O)n1CC(=O)NCc1ccc(C)cc1)CCN(Cc1ccccc1)C2.

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

The InChIKey is YUJRIZOXVSOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-7-25-29-24-18-30(17-22-8-5-4-6-9-22)15-14-23(24)27(33)31(25)19-26(32)28-16-21-12-10-20(2)11-13-21/h4-6,8-13H,3,7,14-19H2,1-2H3,(H,28,32).

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

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53031422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).