6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide

C14H8ClN3O3 — CID 62234890

IUPAC6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccc(Cl)n1
InChIInChI=1S/C14H8ClN3O3/c15-11-3-1-2-10(17-11)14(21)16-7-4-5-8-9(6-7)13(20)18-12(8)19/h1-6H,(H,16,21)(H,18,19,20)
InChIKeyQNWGOWAQBUFMEY-UHFFFAOYSA-N
MW301.69 g/mol
LogP1.87
Rot. Bonds2

About 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide

6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide (PubChem CID 62234890) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide
PubChem CID62234890
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccc(Cl)n1
InChIInChI=1S/C14H8ClN3O3/c15-11-3-1-2-10(17-11)14(21)16-7-4-5-8-9(6-7)13(20)18-12(8)19/h1-6H,(H,16,21)(H,18,19,20)
InChIKeyQNWGOWAQBUFMEY-UHFFFAOYSA-N
XLogP1.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
CID 62235449
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 62233805
N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 5240847
4-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662497
4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43643095
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 62234899

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide (CID 62234890) is 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide?
The InChIKey is QNWGOWAQBUFMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-11-3-1-2-10(17-11)14(21)16-7-4-5-8-9(6-7)13(20)18-12(8)19/h1-6H,(H,16,21)(H,18,19,20).
What are the key properties of 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide?
6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide has a molecular weight of 301.69 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62234890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).