(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate

C17H14N4O5 — CID 19366327

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate
SMILESO=Cc1ccccc1NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1
InChIInChI=1S/C17H14N4O5/c22-10-12-3-1-2-4-13(12)19-20-14-6-5-11(9-18-14)17(25)26-21-15(23)7-8-16(21)24/h1-6,9-10,19H,7-8H2,(H,18,20)
InChIKeyJSFFUPLJLMVLFH-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.55
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate (PubChem CID 19366327) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate
PubChem CID19366327
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate
SMILESO=Cc1ccccc1NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1
InChIInChI=1S/C17H14N4O5/c22-10-12-3-1-2-4-13(12)19-20-14-6-5-11(9-18-14)17(25)26-21-15(23)7-8-16(21)24/h1-6,9-10,19H,7-8H2,(H,18,20)
InChIKeyJSFFUPLJLMVLFH-UHFFFAOYSA-N
XLogP1.55
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate (CID 19366327) is (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate is O=Cc1ccccc1NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate?
The InChIKey is JSFFUPLJLMVLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c22-10-12-3-1-2-4-13(12)19-20-14-6-5-11(9-18-14)17(25)26-21-15(23)7-8-16(21)24/h1-6,9-10,19H,7-8H2,(H,18,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate has a molecular weight of 354.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate is sourced from PubChem (CID 19366327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).