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

C18H16N4O5 — CID 19366328

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate
SMILESO=C(CNNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1)c1ccccc1
InChIInChI=1S/C18H16N4O5/c23-14(12-4-2-1-3-5-12)11-20-21-15-7-6-13(10-19-15)18(26)27-22-16(24)8-9-17(22)25/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyGKRGSGLTYKDKQO-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.10
Rot. Bonds7

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

(2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate (PubChem CID 19366328) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate
PubChem CID19366328
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate
SMILESO=C(CNNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1)c1ccccc1
InChIInChI=1S/C18H16N4O5/c23-14(12-4-2-1-3-5-12)11-20-21-15-7-6-13(10-19-15)18(26)27-22-16(24)8-9-17(22)25/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyGKRGSGLTYKDKQO-UHFFFAOYSA-N
XLogP1.10
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate (CID 19366328) is (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate is O=C(CNNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1)c1ccccc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate?
The InChIKey is GKRGSGLTYKDKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c23-14(12-4-2-1-3-5-12)11-20-21-15-7-6-13(10-19-15)18(26)27-22-16(24)8-9-17(22)25/h1-7,10,20H,8-9,11H2,(H,19,21).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate has a molecular weight of 368.35 g/mol, XLogP of 1.10, 7 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-phenacylhydrazinyl)pyridine-3-carboxylate is sourced from PubChem (CID 19366328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).