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

C27H32N4O2 — CID 53031264

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

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-butylphenyl)acetamide (PubChem CID 53031264) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 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-butylphenyl)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-butylphenyl)acetamide
• PubChem CID: 53031264
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-butylphenyl)acetamide
• SMILES: CCCCc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1
• InChI: InChI=1S/C27H32N4O2/c1-3-4-8-21-11-13-23(14-12-21)29-26(32)19-31-20(2)28-25-18-30(16-15-24(25)27(31)33)17-22-9-6-5-7-10-22/h5-7,9-14H,3-4,8,15-19H2,1-2H3,(H,29,32)
• InChIKey: WPYVFALKFDDWFY-UHFFFAOYSA-N
• XLogP: 4.09
• 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	4.09
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-butylphenyl)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-butylphenyl)acetamide (CID 53031264) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-butylphenyl)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-butylphenyl)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-butylphenyl)acetamide is CCCCc1ccc(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-butylphenyl)acetamide?

The InChIKey is WPYVFALKFDDWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-4-8-21-11-13-23(14-12-21)29-26(32)19-31-20(2)28-25-18-30(16-15-24(25)27(31)33)17-22-9-6-5-7-10-22/h5-7,9-14H,3-4,8,15-19H2,1-2H3,(H,29,32).

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-butylphenyl)acetamide?

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-butylphenyl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.09, 8 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-butylphenyl)acetamide is sourced from PubChem (CID 53031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).