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

C24H28N6O3 — CID 71252332

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

1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 71252332) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 71252332
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione
• SMILES: Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)N(C)C(=O)C3C)nc2)CC1
• InChI: InChI=1S/C24H28N6O3/c1-15-12-19(17-4-5-17)14-26-21(15)28-8-10-29(11-9-28)23(32)18-6-7-20(25-13-18)30-16(2)22(31)27(3)24(30)33/h6-7,12-14,16-17H,4-5,8-11H2,1-3H3
• InChIKey: DSRTYKKGWKREOR-UHFFFAOYSA-N
• XLogP: 2.41
• 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	448.53
LogP ≤ 5	2.41
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-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione (CID 71252332) is 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione.

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

The canonical SMILES for 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)N(C)C(=O)C3C)nc2)CC1.

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

The InChIKey is DSRTYKKGWKREOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-12-19(17-4-5-17)14-26-21(15)28-8-10-29(11-9-28)23(32)18-6-7-20(25-13-18)30-16(2)22(31)27(3)24(30)33/h6-7,12-14,16-17H,4-5,8-11H2,1-3H3.

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

1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 448.53 g/mol, XLogP of 2.41, 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-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 71252332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).