(3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione

C18H15N3O3 — CID 69132343

IUPAC(3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione
SMILESO=c1[nH]/c(=C/c2ccc(O)cn2)c(=O)[nH]/c1=C\Cc1ccccc1
InChIInChI=1S/C18H15N3O3/c22-14-8-7-13(19-11-14)10-16-18(24)20-15(17(23)21-16)9-6-12-4-2-1-3-5-12/h1-5,7-11,22H,6H2,(H,20,24)(H,21,23)/b15-9-,16-10+
InChIKeyOYWHVEWODHEORY-CKOAPEAFSA-N
MW321.34 g/mol
LogP0.02
Rot. Bonds3

About (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione

(3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione (PubChem CID 69132343) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione
PubChem CID69132343
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione
SMILESO=c1[nH]/c(=C/c2ccc(O)cn2)c(=O)[nH]/c1=C\Cc1ccccc1
InChIInChI=1S/C18H15N3O3/c22-14-8-7-13(19-11-14)10-16-18(24)20-15(17(23)21-16)9-6-12-4-2-1-3-5-12/h1-5,7-11,22H,6H2,(H,20,24)(H,21,23)/b15-9-,16-10+
InChIKeyOYWHVEWODHEORY-CKOAPEAFSA-N
XLogP0.02
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione?
The IUPAC name of (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione (CID 69132343) is (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione.
What is the SMILES notation for (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione?
The canonical SMILES for (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione is O=c1[nH]/c(=C/c2ccc(O)cn2)c(=O)[nH]/c1=C\Cc1ccccc1.
What is the InChIKey of (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione?
The InChIKey is OYWHVEWODHEORY-CKOAPEAFSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-14-8-7-13(19-11-14)10-16-18(24)20-15(17(23)21-16)9-6-12-4-2-1-3-5-12/h1-5,7-11,22H,6H2,(H,20,24)(H,21,23)/b15-9-,16-10+.
What are the key properties of (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione?
(3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione has a molecular weight of 321.34 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-3-[(5-hydroxy-2-pyridinyl)methylidene]-6-(2-phenylethylidene)piperazine-2,5-dione is sourced from PubChem (CID 69132343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).