N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide

C17H17N5O5 — CID 155044289

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide
SMILESO=C1CCC(n2c(O)c3cccc(/N=N/C(=O)C4CNC4)c3c2O)C(=O)N1
InChIInChI=1S/C17H17N5O5/c23-12-5-4-11(15(25)19-12)22-16(26)9-2-1-3-10(13(9)17(22)27)20-21-14(24)8-6-18-7-8/h1-3,8,11,18,26-27H,4-7H2,(H,19,23,25)/b21-20+
InChIKeyPBBUTDVCPWFKGD-QZQOTICOSA-N
MW371.35 g/mol
LogP0.86
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide (PubChem CID 155044289) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide
PubChem CID155044289
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide
SMILESO=C1CCC(n2c(O)c3cccc(/N=N/C(=O)C4CNC4)c3c2O)C(=O)N1
InChIInChI=1S/C17H17N5O5/c23-12-5-4-11(15(25)19-12)22-16(26)9-2-1-3-10(13(9)17(22)27)20-21-14(24)8-6-18-7-8/h1-3,8,11,18,26-27H,4-7H2,(H,19,23,25)/b21-20+
InChIKeyPBBUTDVCPWFKGD-QZQOTICOSA-N
XLogP0.86
TPSA145.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide 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

tert-butyl N-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]diazenyl]ethylamino]phenyl]carbamate
CID 174319063
5-[(2-chloro-4-pyridinyl)carbamoylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]imino-1,2-thiazole-3-carboxamide
CID 166718386
3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
CID 175801319
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]methylidene]-3-(2-methylphenyl)urea
CID 136627530
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]methylidene]-3-(2-methoxyphenyl)urea
CID 136658572
1-(3-chloro-4-methylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]methylidene]urea
CID 136629073
3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
CID 144735375
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
CID 91259268

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide (CID 155044289) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide is O=C1CCC(n2c(O)c3cccc(/N=N/C(=O)C4CNC4)c3c2O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide?
The InChIKey is PBBUTDVCPWFKGD-QZQOTICOSA-N. The full InChI is InChI=1S/C17H17N5O5/c23-12-5-4-11(15(25)19-12)22-16(26)9-2-1-3-10(13(9)17(22)27)20-21-14(24)8-6-18-7-8/h1-3,8,11,18,26-27H,4-7H2,(H,19,23,25)/b21-20+.
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide has a molecular weight of 371.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide is sourced from PubChem (CID 155044289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).