4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide

C13H17N3O2 — CID 22093158

IUPAC4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(CCC(N)=O)N1Cc2cc(N)ccc2C1=O
InChIInChI=1S/C13H17N3O2/c1-8(2-5-12(15)17)16-7-9-6-10(14)3-4-11(9)13(16)18/h3-4,6,8H,2,5,7,14H2,1H3,(H2,15,17)
InChIKeySVGZCZDQZMKVSL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.88
Rot. Bonds4

About 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide

4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 22093158) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID22093158
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(CCC(N)=O)N1Cc2cc(N)ccc2C1=O
InChIInChI=1S/C13H17N3O2/c1-8(2-5-12(15)17)16-7-9-6-10(14)3-4-11(9)13(16)18/h3-4,6,8H,2,5,7,14H2,1H3,(H2,15,17)
InChIKeySVGZCZDQZMKVSL-UHFFFAOYSA-N
XLogP0.88
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 166694732
4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 177161201
2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide
CID 156882709
5-amino-2-tert-butyl-3H-isoindol-1-one
CID 130019061
3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 156883005
tert-butyl (4S)-5-amino-4-[6-(bromomethyl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 177341433
tert-butyl 5-amino-4-(6-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate
CID 159945708
tert-butyl 5-amino-4-[6-(3-bromopropoxy)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 135278418
4-[6-[(2-amino-6-iodo-1,3-diazinan-4-yl)amino]-3-oxo-1H-isoindol-2-yl]-N-ethenylpentanamide
CID 156527999
4-(7-amino-3-oxo-1H-isoindol-2-yl)-5,5-dihydroxypentanamide
CID 137445596
5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 91664637
2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide
CID 164736196

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide (CID 22093158) is 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide is CC(CCC(N)=O)N1Cc2cc(N)ccc2C1=O.
What is the InChIKey of 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is SVGZCZDQZMKVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2-5-12(15)17)16-7-9-6-10(14)3-4-11(9)13(16)18/h3-4,6,8H,2,5,7,14H2,1H3,(H2,15,17).
What are the key properties of 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide?
4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 247.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 22093158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).