8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H28N6O3 — CID 110260868

About 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260868) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 110260868
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1nc(C2CCCN2CC(=O)N2CCNC2=O)nc2c1CCC(=O)N2Cc1ccccc1
• InChI: InChI=1S/C24H28N6O3/c1-16-18-9-10-20(31)30(14-17-6-3-2-4-7-17)23(18)27-22(26-16)19-8-5-12-28(19)15-21(32)29-13-11-25-24(29)33/h2-4,6-7,19H,5,8-15H2,1H3,(H,25,33)
• InChIKey: WKOZHGRCRRNNDT-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 98.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260868) is 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN2CC(=O)N2CCNC2=O)nc2c1CCC(=O)N2Cc1ccccc1.

What is the InChIKey of 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The InChIKey is WKOZHGRCRRNNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-18-9-10-20(31)30(14-17-6-3-2-4-7-17)23(18)27-22(26-16)19-8-5-12-28(19)15-21(32)29-13-11-25-24(29)33/h2-4,6-7,19H,5,8-15H2,1H3,(H,25,33).

What are the key properties of 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 448.53 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-4-methyl-2-[1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).