(2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate

C18H16N2O6 — CID 10473438

IUPAC(2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
SMILESCn1ccc(C(=O)ON2C(=O)CCC2=O)c(OCc2ccccc2)c1=O
InChIInChI=1S/C18H16N2O6/c1-19-10-9-13(18(24)26-20-14(21)7-8-15(20)22)16(17(19)23)25-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyYPLMRTNELCKLLZ-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.19
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate

(2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate (PubChem CID 10473438) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
PubChem CID10473438
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
SMILESCn1ccc(C(=O)ON2C(=O)CCC2=O)c(OCc2ccccc2)c1=O
InChIInChI=1S/C18H16N2O6/c1-19-10-9-13(18(24)26-20-14(21)7-8-15(20)22)16(17(19)23)25-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyYPLMRTNELCKLLZ-UHFFFAOYSA-N
XLogP1.19
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate (CID 10473438) is (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate is Cn1ccc(C(=O)ON2C(=O)CCC2=O)c(OCc2ccccc2)c1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
The InChIKey is YPLMRTNELCKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-19-10-9-13(18(24)26-20-14(21)7-8-15(20)22)16(17(19)23)25-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate has a molecular weight of 356.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 1-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate is sourced from PubChem (CID 10473438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).