(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione

C15H16N4O7 — CID 167723182

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(NCc1ccncc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C11H11N3O4.C4H5NO3/c15-9-1-2-10(16)14(9)18-11(17)13-7-8-3-5-12-6-4-8;6-3-1-2-4(7)5(3)8/h3-6H,1-2,7H2,(H,13,17);8H,1-2H2
InChIKeyMDOLOLBFOVEUJO-UHFFFAOYSA-N
MW364.31 g/mol
LogP-0.10
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione

(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione (PubChem CID 167723182) has the molecular formula C15H16N4O7 and a molecular weight of 364.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
PubChem CID167723182
Molecular FormulaC15H16N4O7
Molecular Weight364.31 g/mol
Exact Mass364.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(NCc1ccncc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C11H11N3O4.C4H5NO3/c15-9-1-2-10(16)14(9)18-11(17)13-7-8-3-5-12-6-4-8;6-3-1-2-4(7)5(3)8/h3-6H,1-2,7H2,(H,13,17);8H,1-2H2
InChIKeyMDOLOLBFOVEUJO-UHFFFAOYSA-N
XLogP-0.10
TPSA146.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
pyridin-4-ylmethylcarbamoyl thiophene-2-carboxylate
CID 143396040
(2,5-dioxopyrrolidin-1-yl) N-[[3-[2-[2-(diethylamino)ethoxy]ethyl]quinolin-6-yl]methyl]carbamate
CID 167094587
(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate
CID 21030159
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
(2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate
CID 167094624
ethane;pyridin-4-ylmethylurea
CID 144877282
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione (CID 167723182) is (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione is O=C(NCc1ccncc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is MDOLOLBFOVEUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4.C4H5NO3/c15-9-1-2-10(16)14(9)18-11(17)13-7-8-3-5-12-6-4-8;6-3-1-2-4(7)5(3)8/h3-6H,1-2,7H2,(H,13,17);8H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 364.31 g/mol, XLogP of -0.10, 3 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) N-(pyridin-4-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 167723182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).