3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile

C16H13N3O — CID 4584503

IUPAC3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile
SMILESCc1ccccc1NC1(C#N)C(=O)Nc2ccccc21
InChIInChI=1S/C16H13N3O/c1-11-6-2-4-8-13(11)19-16(10-17)12-7-3-5-9-14(12)18-15(16)20/h2-9,19H,1H3,(H,18,20)
InChIKeyCWIUDZUHMUXNST-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.78
Rot. Bonds2

About 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile

3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile (PubChem CID 4584503) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile
PubChem CID4584503
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile
SMILESCc1ccccc1NC1(C#N)C(=O)Nc2ccccc21
InChIInChI=1S/C16H13N3O/c1-11-6-2-4-8-13(11)19-16(10-17)12-7-3-5-9-14(12)18-15(16)20/h2-9,19H,1H3,(H,18,20)
InChIKeyCWIUDZUHMUXNST-UHFFFAOYSA-N
XLogP2.78
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
The IUPAC name of 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile (CID 4584503) is 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile.
What is the SMILES notation for 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
The canonical SMILES for 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile is Cc1ccccc1NC1(C#N)C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
The InChIKey is CWIUDZUHMUXNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-6-2-4-8-13(11)19-16(10-17)12-7-3-5-9-14(12)18-15(16)20/h2-9,19H,1H3,(H,18,20).
What are the key properties of 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile?
3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)-2-oxo-1H-indole-3-carbonitrile is sourced from PubChem (CID 4584503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).