N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide

C10H9N3O3 — CID 110461600

IUPACN-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESO=C1CC(NC(=O)c2ccccn2)C(=O)N1
InChIInChI=1S/C10H9N3O3/c14-8-5-7(10(16)13-8)12-9(15)6-3-1-2-4-11-6/h1-4,7H,5H2,(H,12,15)(H,13,14,16)
InChIKeyURQQAPBNCXLLIK-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.77
Rot. Bonds2

About N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide

N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 110461600) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
PubChem CID110461600
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESO=C1CC(NC(=O)c2ccccn2)C(=O)N1
InChIInChI=1S/C10H9N3O3/c14-8-5-7(10(16)13-8)12-9(15)6-3-1-2-4-11-6/h1-4,7H,5H2,(H,12,15)(H,13,14,16)
InChIKeyURQQAPBNCXLLIK-UHFFFAOYSA-N
XLogP-0.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
CID 110462621
5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide
CID 110463812
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146129208
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide
CID 68737166

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide (CID 110461600) is N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide is O=C1CC(NC(=O)c2ccccn2)C(=O)N1.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
The InChIKey is URQQAPBNCXLLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-8-5-7(10(16)13-8)12-9(15)6-3-1-2-4-11-6/h1-4,7H,5H2,(H,12,15)(H,13,14,16).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide?
N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 219.20 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110461600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).