(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate

C12H13N3O4 — CID 167732541

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate
SMILESO=C(NCCc1ccccn1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H13N3O4/c16-10-4-5-11(17)15(10)19-12(18)14-8-6-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2,(H,14,18)
InChIKeyCANGUZATKNGVSZ-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.41
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate

(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate (PubChem CID 167732541) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate
PubChem CID167732541
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate
SMILESO=C(NCCc1ccccn1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H13N3O4/c16-10-4-5-11(17)15(10)19-12(18)14-8-6-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2,(H,14,18)
InChIKeyCANGUZATKNGVSZ-UHFFFAOYSA-N
XLogP0.41
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
(2Z)-N-cyclohexyl-2-nitroso-2-(1H-pyridin-2-ylidene)acetamide
CID 135431429
(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide
CID 118737949
2-Pyridinecarboxaldehyde, O-(cyclohexylcarbamoyl)oxime
CID 9562664
(2E)-2-(hydroxyimino)-N-(pyridin-2-ylmethyl)propanamide
CID 17019744
(2Z)-N-(3-{[3-(dimethylamino)propyl]amino}propyl)-2-(hydroxyimino)-2-(pyridin-2-yl)ethanamide
CID 135449181
N-(2-(Pyridin-2-yl)ethyl)acetamide
CID 238301
N-hydroxy-2-pyridin-2-ylacetamide
CID 12856026
3-(5-oxopyrrolidin-2-yl)-N-pyridin-4-ylpropanamide
CID 13564434
Acetamide, 2-cyano-N-[2-(2-pyridinyl)ethyl]-
CID 304844
4-Oxo-4-[(pyridin-2-ylmethyl)amino]butanoic acid
CID 756930
1-[2-(Pyridin-2-yl)ethyl]pyrrolidin-2-one
CID 1266787

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate (CID 167732541) is (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate is O=C(NCCc1ccccn1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate?
The InChIKey is CANGUZATKNGVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-10-4-5-11(17)15(10)19-12(18)14-8-6-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2,(H,14,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate?
(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate has a molecular weight of 263.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-2-ylethyl)carbamate is sourced from PubChem (CID 167732541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).