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

C26H29FN4O2 — CID 53031416

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

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 53031416) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 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-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide
• PubChem CID: 53031416
• Molecular Formula: C26H29FN4O2
• Molecular Weight: 448.54 g/mol
• Exact Mass: 448.23
• IUPAC Name: 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide
• SMILES: CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1C)CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C26H29FN4O2/c1-3-7-24-28-23-16-30(15-19-8-5-4-6-9-19)13-12-21(23)26(33)31(24)17-25(32)29-22-14-20(27)11-10-18(22)2/h4-6,8-11,14H,3,7,12-13,15-17H2,1-2H3,(H,29,32)
• InChIKey: LUSXNHKGKVIINA-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.54
LogP ≤ 5	3.84
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-(5-fluoro-2-methylphenyl)acetamide?

The IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 53031416) is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)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-(5-fluoro-2-methylphenyl)acetamide?

The canonical SMILES for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide is CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1C)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-(5-fluoro-2-methylphenyl)acetamide?

The InChIKey is LUSXNHKGKVIINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-3-7-24-28-23-16-30(15-19-8-5-4-6-9-19)13-12-21(23)26(33)31(24)17-25(32)29-22-14-20(27)11-10-18(22)2/h4-6,8-11,14H,3,7,12-13,15-17H2,1-2H3,(H,29,32).

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-(5-fluoro-2-methylphenyl)acetamide?

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.84, 7 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-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 53031416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).