2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide

C14H17N3O3 — CID 166694732

IUPAC2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)N1Cc2cc(N)ccc2C1=O
InChIInChI=1S/C14H17N3O3/c1-2-3-12(13(19)16-8-18)17-7-9-6-10(15)4-5-11(9)14(17)20/h4-6,8,12H,2-3,7,15H2,1H3,(H,16,18,19)
InChIKeyPIYKAMQRBJTFSR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.67
Rot. Bonds5

About 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide

2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide (PubChem CID 166694732) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide.

Molecular Properties

Compound Name2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
PubChem CID166694732
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)N1Cc2cc(N)ccc2C1=O
InChIInChI=1S/C14H17N3O3/c1-2-3-12(13(19)16-8-18)17-7-9-6-10(15)4-5-11(9)14(17)20/h4-6,8,12H,2-3,7,15H2,1H3,(H,16,18,19)
InChIKeyPIYKAMQRBJTFSR-UHFFFAOYSA-N
XLogP0.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide
CID 156882709
2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 174283198
2-[6-[7-(cyclohexylamino)heptylsulfanyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921166
2-[6-[[[4-[[[2-(2-fluoronaphthalen-1-yl)acetyl]amino]methyl]phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 167275859
2-[6-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 174285976
4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide
CID 22093158
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 171788986
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 177161201
2-[4-ethenyl-3-(2-methylprop-1-enyl)-5-oxo-2H-pyrrol-1-yl]-N-formylpentanamide
CID 177003044
N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
The IUPAC name of 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide (CID 166694732) is 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide.
What is the SMILES notation for 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
The canonical SMILES for 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide is CCCC(C(=O)NC=O)N1Cc2cc(N)ccc2C1=O.
What is the InChIKey of 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
The InChIKey is PIYKAMQRBJTFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-3-12(13(19)16-8-18)17-7-9-6-10(15)4-5-11(9)14(17)20/h4-6,8,12H,2-3,7,15H2,1H3,(H,16,18,19).
What are the key properties of 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide has a molecular weight of 275.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide is sourced from PubChem (CID 166694732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).