2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide

C26H32N4O3 — CID 110260512

About 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide

2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide (PubChem CID 110260512) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide
• PubChem CID: 110260512
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide
• SMILES: Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)CC3C=CCC3)nc21
• InChI: InChI=1S/C26H32N4O3/c1-18-8-4-7-11-22(18)33-15-14-30-24(31)13-12-21-19(2)27-23(28-26(21)30)17-29(3)25(32)16-20-9-5-6-10-20/h4-5,7-9,11,20H,6,10,12-17H2,1-3H3
• InChIKey: HBVZPLFWSLPPML-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 75.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?

The IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide (CID 110260512) is 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide.

What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?

The canonical SMILES for 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide is Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)CC3C=CCC3)nc21.

What is the InChIKey of 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?

The InChIKey is HBVZPLFWSLPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18-8-4-7-11-22(18)33-15-14-30-24(31)13-12-21-19(2)27-23(28-26(21)30)17-29(3)25(32)16-20-9-5-6-10-20/h4-5,7-9,11,20H,6,10,12-17H2,1-3H3.

What are the key properties of 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?

2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide is sourced from PubChem (CID 110260512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).