3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione

C16H12N4O4 — CID 138695552

IUPAC3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c3cc([N+](=O)[O-])ccc3c3cccnc32)C(=O)N1
InChIInChI=1S/C16H12N4O4/c21-14-6-5-12(16(22)18-14)19-13-8-9(20(23)24)3-4-10(13)11-2-1-7-17-15(11)19/h1-4,7-8,12H,5-6H2,(H,18,21,22)
InChIKeyFZESHHPXUKJEFQ-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.08
Rot. Bonds2

About 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione

3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione (PubChem CID 138695552) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
PubChem CID138695552
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c3cc([N+](=O)[O-])ccc3c3cccnc32)C(=O)N1
InChIInChI=1S/C16H12N4O4/c21-14-6-5-12(16(22)18-14)19-13-8-9(20(23)24)3-4-10(13)11-2-1-7-17-15(11)19/h1-4,7-8,12H,5-6H2,(H,18,21,22)
InChIKeyFZESHHPXUKJEFQ-UHFFFAOYSA-N
XLogP2.08
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
CID 153390253
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
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
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),10,12-tetraen-8-yl)piperidine-2,6-dione
CID 153310477
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143
tert-butyl N-[2-[2-[(E)-3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]but-2-enoxy]ethoxy]ethyl]carbamate
CID 142615891
2-[(3S)-2,6-dioxopiperidin-3-yl]-5-nitroisoindole-1,3-dione
CID 22893957
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
3-(3-prop-1-en-2-ylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 155455512
3-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]propyl-methylcarbamic acid
CID 138696039

Frequently Asked Questions

What is the IUPAC name of 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione (CID 138695552) is 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione is O=C1CCC(n2c3cc([N+](=O)[O-])ccc3c3cccnc32)C(=O)N1.
What is the InChIKey of 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
The InChIKey is FZESHHPXUKJEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c21-14-6-5-12(16(22)18-14)19-13-8-9(20(23)24)3-4-10(13)11-2-1-7-17-15(11)19/h1-4,7-8,12H,5-6H2,(H,18,21,22).
What are the key properties of 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione?
3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione has a molecular weight of 324.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione is sourced from PubChem (CID 138695552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).