3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione

C25H21N3O4 — CID 72647892

About 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione

3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione (PubChem CID 72647892) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione.

Molecular Properties

• Compound Name: 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
• PubChem CID: 72647892
• Molecular Formula: C25H21N3O4
• Molecular Weight: 427.46 g/mol
• Exact Mass: 427.15
• IUPAC Name: 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
• SMILES: Cc1cc(O)cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)c1
• InChI: InChI=1S/C25H21N3O4/c1-16-9-18(11-20(29)10-16)12-22-24(30)28-23(25(31)27-22)13-19-7-8-21(14-26-19)32-15-17-5-3-2-4-6-17/h2-14,29H,15H2,1H3,(H,27,31)(H,28,30)
• InChIKey: GCYMOGOJBPKLRD-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 108.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.46
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?

The IUPAC name of 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione (CID 72647892) is 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione.

What is the SMILES notation for 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?

The canonical SMILES for 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione is Cc1cc(O)cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)c1.

What is the InChIKey of 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?

The InChIKey is GCYMOGOJBPKLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-16-9-18(11-20(29)10-16)12-22-24(30)28-23(25(31)27-22)13-19-7-8-21(14-26-19)32-15-17-5-3-2-4-6-17/h2-14,29H,15H2,1H3,(H,27,31)(H,28,30).

What are the key properties of 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?

3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione has a molecular weight of 427.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 72647892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).