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

C16H13N5O4 — CID 15515415

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(N/N=C/c2ccccn2)nc1
InChIInChI=1S/C16H13N5O4/c22-14-6-7-15(23)21(14)25-16(24)11-4-5-13(18-9-11)20-19-10-12-3-1-2-8-17-12/h1-5,8-10H,6-7H2,(H,18,20)/b19-10+
InChIKeyUUWCJRJVCKOEPG-VXLYETTFSA-N
MW339.31 g/mol
LogP1.14
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate (PubChem CID 15515415) has the molecular formula C16H13N5O4 and a molecular weight of 339.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate
PubChem CID15515415
Molecular FormulaC16H13N5O4
Molecular Weight339.31 g/mol
Exact Mass339.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(N/N=C/c2ccccn2)nc1
InChIInChI=1S/C16H13N5O4/c22-14-6-7-15(23)21(14)25-16(24)11-4-5-13(18-9-11)20-19-10-12-3-1-2-8-17-12/h1-5,8-10H,6-7H2,(H,18,20)/b19-10+
InChIKeyUUWCJRJVCKOEPG-VXLYETTFSA-N
XLogP1.14
TPSA113.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate (CID 15515415) is (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc(N/N=C/c2ccccn2)nc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate?
The InChIKey is UUWCJRJVCKOEPG-VXLYETTFSA-N. The full InChI is InChI=1S/C16H13N5O4/c22-14-6-7-15(23)21(14)25-16(24)11-4-5-13(18-9-11)20-19-10-12-3-1-2-8-17-12/h1-5,8-10H,6-7H2,(H,18,20)/b19-10+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate has a molecular weight of 339.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate is sourced from PubChem (CID 15515415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).