2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C27H30N4O4 — CID 53031405

About 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 53031405) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• PubChem CID: 53031405
• Molecular Formula: C27H30N4O4
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.23
• IUPAC Name: 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• SMILES: CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)OCCO3)CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C27H30N4O4/c1-2-6-25-29-22-17-30(16-19-7-4-3-5-8-19)12-11-21(22)27(33)31(25)18-26(32)28-20-9-10-23-24(15-20)35-14-13-34-23/h3-5,7-10,15H,2,6,11-14,16-18H2,1H3,(H,28,32)
• InChIKey: ZSWDIQRJDGTKTK-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 53031405) is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The canonical SMILES for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)OCCO3)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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The InChIKey is ZSWDIQRJDGTKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-2-6-25-29-22-17-30(16-19-7-4-3-5-8-19)12-11-21(22)27(33)31(25)18-26(32)28-20-9-10-23-24(15-20)35-14-13-34-23/h3-5,7-10,15H,2,6,11-14,16-18H2,1H3,(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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 474.56 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 53031405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).