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

C13H14N4O4 — CID 46174378

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate
SMILESCC(C)=NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1
InChIInChI=1S/C13H14N4O4/c1-8(2)15-16-10-4-3-9(7-14-10)13(20)21-17-11(18)5-6-12(17)19/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyPRZHEFYNLJWJFA-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.11
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate (PubChem CID 46174378) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate
PubChem CID46174378
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate
SMILESCC(C)=NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1
InChIInChI=1S/C13H14N4O4/c1-8(2)15-16-10-4-3-9(7-14-10)13(20)21-17-11(18)5-6-12(17)19/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyPRZHEFYNLJWJFA-UHFFFAOYSA-N
XLogP1.11
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.11
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-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate (CID 46174378) is (2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate is CC(C)=NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate?
The InChIKey is PRZHEFYNLJWJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8(2)15-16-10-4-3-9(7-14-10)13(20)21-17-11(18)5-6-12(17)19/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 1.11, 4 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-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate is sourced from PubChem (CID 46174378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).