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

C15H16N4O5 — CID 19366329

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(NNC2CCCC2=O)nc1
InChIInChI=1S/C15H16N4O5/c20-11-3-1-2-10(11)17-18-12-5-4-9(8-16-12)15(23)24-19-13(21)6-7-14(19)22/h4-5,8,10,17H,1-3,6-7H2,(H,16,18)
InChIKeyULCRKHWHERWCMT-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.34
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate (PubChem CID 19366329) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate
PubChem CID19366329
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(NNC2CCCC2=O)nc1
InChIInChI=1S/C15H16N4O5/c20-11-3-1-2-10(11)17-18-12-5-4-9(8-16-12)15(23)24-19-13(21)6-7-14(19)22/h4-5,8,10,17H,1-3,6-7H2,(H,16,18)
InChIKeyULCRKHWHERWCMT-UHFFFAOYSA-N
XLogP0.34
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.34
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'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate (CID 19366329) is (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc(NNC2CCCC2=O)nc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate?
The InChIKey is ULCRKHWHERWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c20-11-3-1-2-10(11)17-18-12-5-4-9(8-16-12)15(23)24-19-13(21)6-7-14(19)22/h4-5,8,10,17H,1-3,6-7H2,(H,16,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate has a molecular weight of 332.32 g/mol, XLogP of 0.34, 5 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-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate is sourced from PubChem (CID 19366329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).