6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide

C19H19N3O3 — CID 565136

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1
InChIInChI=1S/C19H19N3O3/c23-17(21-16-10-5-6-12-20-16)11-2-1-7-13-22-18(24)14-8-3-4-9-15(14)19(22)25/h3-6,8-10,12H,1-2,7,11,13H2,(H,20,21,23)
InChIKeyPJIIHWQOUWTGSS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.88
Rot. Bonds7

About 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide

6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide (PubChem CID 565136) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
PubChem CID565136
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1
InChIInChI=1S/C19H19N3O3/c23-17(21-16-10-5-6-12-20-16)11-2-1-7-13-22-18(24)14-8-3-4-9-15(14)19(22)25/h3-6,8-10,12H,1-2,7,11,13H2,(H,20,21,23)
InChIKeyPJIIHWQOUWTGSS-UHFFFAOYSA-N
XLogP2.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
CID 91114387
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
CID 90621313

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide (CID 565136) is 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide?
The InChIKey is PJIIHWQOUWTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17(21-16-10-5-6-12-20-16)11-2-1-7-13-22-18(24)14-8-3-4-9-15(14)19(22)25/h3-6,8-10,12H,1-2,7,11,13H2,(H,20,21,23).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide has a molecular weight of 337.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide is sourced from PubChem (CID 565136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).