N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide

C14H9N3O4 — CID 28834338

IUPACN-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H9N3O4/c18-11-4-1-7(6-15-11)12(19)16-8-2-3-9-10(5-8)14(21)17-13(9)20/h1-6H,(H,15,18)(H,16,19)(H,17,20,21)
InChIKeyHJYQNTUBBRDCEX-UHFFFAOYSA-N
MW283.24 g/mol
LogP0.51
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 28834338) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID28834338
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H9N3O4/c18-11-4-1-7(6-15-11)12(19)16-8-2-3-9-10(5-8)14(21)17-13(9)20/h1-6H,(H,15,18)(H,16,19)(H,17,20,21)
InChIKeyHJYQNTUBBRDCEX-UHFFFAOYSA-N
XLogP0.51
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyridine-3-carboxamide
CID 75418529
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
6-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyridine-3-carboxamide
CID 26017164
4-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662519
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43643095
4-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662497
N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 65435783
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 28834338) is N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HJYQNTUBBRDCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-11-4-1-7(6-15-11)12(19)16-8-2-3-9-10(5-8)14(21)17-13(9)20/h1-6H,(H,15,18)(H,16,19)(H,17,20,21).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 283.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28834338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).