N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

C17H18N4O2 — CID 19832350

IUPACN-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(N)cc3N)ccc21
InChIInChI=1S/C17H18N4O2/c1-17(2)11-5-3-9(7-14(11)21-16(17)23)15(22)20-13-6-4-10(18)8-12(13)19/h3-8H,18-19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHSRASQLBQPVYOS-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.33
Rot. Bonds2

About N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (PubChem CID 19832350) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
PubChem CID19832350
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(N)cc3N)ccc21
InChIInChI=1S/C17H18N4O2/c1-17(2)11-5-3-9(7-14(11)21-16(17)23)15(22)20-13-6-4-10(18)8-12(13)19/h3-8H,18-19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHSRASQLBQPVYOS-UHFFFAOYSA-N
XLogP2.33
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832367
3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
CID 19832303
3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
CID 19832363
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 57261046
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464
N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 54485980
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103807580
4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
CID 134359397
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (CID 19832350) is N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(N)cc3N)ccc21.
What is the InChIKey of N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The InChIKey is HSRASQLBQPVYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2)11-5-3-9(7-14(11)21-16(17)23)15(22)20-13-6-4-10(18)8-12(13)19/h3-8H,18-19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 19832350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).