1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one

C25H30N6O3 — CID 71252584

About 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one

1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one (PubChem CID 71252584) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one
• PubChem CID: 71252584
• Molecular Formula: C25H30N6O3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.24
• IUPAC Name: 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one
• SMILES: CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4ncc(C5CC5)cc4C)CC3)c(C)n2)C1=O
• InChI: InChI=1S/C25H30N6O3/c1-16-14-20(19-4-5-19)15-26-23(16)28-8-10-29(11-9-28)24(33)21-6-7-22(27-17(21)2)31-13-12-30(18(3)32)25(31)34/h6-7,14-15,19H,4-5,8-13H2,1-3H3
• InChIKey: SDNBABLQBDTGIG-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 89.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one?

The IUPAC name of 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one (CID 71252584) is 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one.

What is the SMILES notation for 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one?

The canonical SMILES for 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one is CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4ncc(C5CC5)cc4C)CC3)c(C)n2)C1=O.

What is the InChIKey of 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one?

The InChIKey is SDNBABLQBDTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16-14-20(19-4-5-19)15-26-23(16)28-8-10-29(11-9-28)24(33)21-6-7-22(27-17(21)2)31-13-12-30(18(3)32)25(31)34/h6-7,14-15,19H,4-5,8-13H2,1-3H3.

What are the key properties of 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one?

1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one has a molecular weight of 462.55 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 71252584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).