(2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione

C15H16N4O7 — CID 167717088

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(NCc1cccnc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C11H11N3O4.C4H5NO3/c15-9-3-4-10(16)14(9)18-11(17)13-7-8-2-1-5-12-6-8;6-3-1-2-4(7)5(3)8/h1-2,5-6H,3-4,7H2,(H,13,17);8H,1-2H2
InChIKeyKBPDOKAPEKCHOT-UHFFFAOYSA-N
MW364.31 g/mol
LogP-0.10
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione

(2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione (PubChem CID 167717088) 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-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
PubChem CID167717088
Molecular FormulaC15H16N4O7
Molecular Weight364.31 g/mol
Exact Mass364.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(NCc1cccnc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C11H11N3O4.C4H5NO3/c15-9-3-4-10(16)14(9)18-11(17)13-7-8-2-1-5-12-6-8;6-3-1-2-4(7)5(3)8/h1-2,5-6H,3-4,7H2,(H,13,17);8H,1-2H2
InChIKeyKBPDOKAPEKCHOT-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

N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)cyclopentene-1-carboxamide
CID 44419177
2-(hydroxyimino)-N-(3-pyridylmethyl)acetamide
CID 6878790
3-[(Pyridin-3-ylmethyl)carbamoyl]propanoic acid
CID 777389
N-hydroxy-2-(2-methylpropyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 16114632
N'-hydroxy-N-(pyridin-3-ylmethyl)propanediamide
CID 16116189
1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42956719
N-propyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 50950835
2,5-dioxopyrrolidin-1-yl N-[2-(pyridin-2-yl)ethyl]carbamate
CID 167732541
2,5-dioxopyrrolidin-1-yl N-[2-(pyridin-3-yl)ethyl]carbamate
CID 167733763
1-hydroxypyrrolidine-2,5-dione; 2,5-dioxopyrrolidin-1-yl N-[2-(pyridin-4-yl)ethyl]carbamate
CID 167738640
1-(3-methylbutyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 4057719
2-Hydroxyimino-N-pyridin-3-ylmethyl-propionamide
CID 9595055

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione (CID 167717088) is (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione is O=C(NCc1cccnc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is KBPDOKAPEKCHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4.C4H5NO3/c15-9-3-4-10(16)14(9)18-11(17)13-7-8-2-1-5-12-6-8;6-3-1-2-4(7)5(3)8/h1-2,5-6H,3-4,7H2,(H,13,17);8H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) N-(pyridin-3-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-3-ylmethyl)carbamate;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 167717088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).