9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde

C17H13N3O3 — CID 146598559

IUPAC9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
SMILESO=Cc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C17H13N3O3/c21-9-10-7-8-18-16-15(10)11-3-1-2-4-12(11)20(16)13-5-6-14(22)19-17(13)23/h1-4,7-9,13H,5-6H2,(H,19,22,23)
InChIKeyZIYPWLOSSMMNQB-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.98
Rot. Bonds2

About 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde

9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde (PubChem CID 146598559) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde.

Molecular Properties

Compound Name9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
PubChem CID146598559
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
SMILESO=Cc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O
InChIInChI=1S/C17H13N3O3/c21-9-10-7-8-18-16-15(10)11-3-1-2-4-12(11)20(16)13-5-6-14(22)19-17(13)23/h1-4,7-9,13H,5-6H2,(H,19,22,23)
InChIKeyZIYPWLOSSMMNQB-UHFFFAOYSA-N
XLogP1.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
3-(4-but-1-ynylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 167693243
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
CID 153390253
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)piperidine-2,6-dione
CID 153310470
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 151743530
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
3-[3-(2-methylbutan-2-yl)pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 166800756
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione
CID 153310477
3-(3-prop-1-en-2-ylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 155455512

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde?
The IUPAC name of 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde (CID 146598559) is 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde.
What is the SMILES notation for 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde?
The canonical SMILES for 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde is O=Cc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O.
What is the InChIKey of 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde?
The InChIKey is ZIYPWLOSSMMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-9-10-7-8-18-16-15(10)11-3-1-2-4-12(11)20(16)13-5-6-14(22)19-17(13)23/h1-4,7-9,13H,5-6H2,(H,19,22,23).
What are the key properties of 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde?
9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde has a molecular weight of 307.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde is sourced from PubChem (CID 146598559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).