2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile

C15H14N4O3 — CID 172602391

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile
SMILESCNc1c(C#N)ccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H14N4O3/c1-17-13-8(6-16)2-3-9-10(13)7-19(15(9)22)11-4-5-12(20)18-14(11)21/h2-3,11,17H,4-5,7H2,1H3,(H,18,20,21)
InChIKeyYTPJRDRVMMAZEE-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.36
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile

2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile (PubChem CID 172602391) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile
PubChem CID172602391
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile
SMILESCNc1c(C#N)ccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H14N4O3/c1-17-13-8(6-16)2-3-9-10(13)7-19(15(9)22)11-4-5-12(20)18-14(11)21/h2-3,11,17H,4-5,7H2,1H3,(H,18,20,21)
InChIKeyYTPJRDRVMMAZEE-UHFFFAOYSA-N
XLogP0.36
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
CID 167342181
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
CID 167342017
3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162486102
3-[7-(3-deuterioprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175758337
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione
CID 166660984
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-(6-hydroxy-7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 172602345
3-[7-[5-(methylamino)pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166594196
7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[1,8-dihydrofuro[3,4-e]isoindole-3,4'-borinane]-1'-carbonitrile
CID 169201438
2-(2,6-dioxopiperidin-3-yl)-3-oxo-7-(trifluoromethoxy)-1H-isoindole-4-carbonitrile
CID 167342394

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile (CID 172602391) is 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile is CNc1c(C#N)ccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile?
The InChIKey is YTPJRDRVMMAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-17-13-8(6-16)2-3-9-10(13)7-19(15(9)22)11-4-5-12(20)18-14(11)21/h2-3,11,17H,4-5,7H2,1H3,(H,18,20,21).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile?
2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile has a molecular weight of 298.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile is sourced from PubChem (CID 172602391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).