1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione

C24H30N6O3 — CID 71252832

About 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione

1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 71252832) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione
• PubChem CID: 71252832
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione
• SMILES: CCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)N(C)C(=O)C4(C)C)nc3)CC2)c(C)c1
• InChI: InChI=1S/C24H30N6O3/c1-6-17-13-16(2)20(26-14-17)28-9-11-29(12-10-28)21(31)18-7-8-19(25-15-18)30-23(33)27(5)22(32)24(30,3)4/h7-8,13-15H,6,9-12H2,1-5H3
• InChIKey: LEKJRZLMKSLTJE-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 89.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione (CID 71252832) is 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione is CCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)N(C)C(=O)C4(C)C)nc3)CC2)c(C)c1.

What is the InChIKey of 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione?

The InChIKey is LEKJRZLMKSLTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-6-17-13-16(2)20(26-14-17)28-9-11-29(12-10-28)21(31)18-7-8-19(25-15-18)30-23(33)27(5)22(32)24(30,3)4/h7-8,13-15H,6,9-12H2,1-5H3.

What are the key properties of 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione?

1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 450.54 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 71252832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).