(2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate

C17H14N4O4 — CID 74057382

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(NN=Cc2ccccc2)nc1
InChIInChI=1S/C17H14N4O4/c22-15-8-9-16(23)21(15)25-17(24)13-6-7-14(18-11-13)20-19-10-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,20)
InChIKeyRPCFKZIPOLIROM-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.75
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate (PubChem CID 74057382) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate
PubChem CID74057382
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(NN=Cc2ccccc2)nc1
InChIInChI=1S/C17H14N4O4/c22-15-8-9-16(23)21(15)25-17(24)13-6-7-14(18-11-13)20-19-10-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,20)
InChIKeyRPCFKZIPOLIROM-UHFFFAOYSA-N
XLogP1.75
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate (CID 74057382) is (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc(NN=Cc2ccccc2)nc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate?
The InChIKey is RPCFKZIPOLIROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-15-8-9-16(23)21(15)25-17(24)13-6-7-14(18-11-13)20-19-10-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(2-benzylidenehydrazinyl)pyridine-3-carboxylate is sourced from PubChem (CID 74057382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).