3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile

C17H15N3O — CID 3153365

IUPAC3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
SMILESCc1ccc(C)c(NC2(C#N)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H15N3O/c1-11-7-8-12(2)15(9-11)20-17(10-18)13-5-3-4-6-14(13)19-16(17)21/h3-9,20H,1-2H3,(H,19,21)
InChIKeyYONWIGYZXOJHOH-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.09
Rot. Bonds2

About 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile

3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile (PubChem CID 3153365) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
PubChem CID3153365
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
SMILESCc1ccc(C)c(NC2(C#N)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H15N3O/c1-11-7-8-12(2)15(9-11)20-17(10-18)13-5-3-4-6-14(13)19-16(17)21/h3-9,20H,1-2H3,(H,19,21)
InChIKeyYONWIGYZXOJHOH-UHFFFAOYSA-N
XLogP3.09
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(naphthalen-1-ylamino)-2-oxo-1H-indole-3-carbonitrile
CID 916242
(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile
CID 2016509
5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile
CID 163838439
3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
CID 165341869
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
CID 146949857
CID 146949857
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 132839196
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one
CID 54065813

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile?
The IUPAC name of 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile (CID 3153365) is 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile.
What is the SMILES notation for 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile?
The canonical SMILES for 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile is Cc1ccc(C)c(NC2(C#N)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile?
The InChIKey is YONWIGYZXOJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-7-8-12(2)15(9-11)20-17(10-18)13-5-3-4-6-14(13)19-16(17)21/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile?
3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile is sourced from PubChem (CID 3153365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).