4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

C17H16N4O — CID 135541686

IUPAC4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H16N4O/c1-11-15(14-4-2-3-5-16(14)20-11)10-19-21-17(22)12-6-8-13(18)9-7-12/h2-10,20H,18H2,1H3,(H,21,22)/b19-10+
InChIKeyBAEFQJZFLUBSRK-VXLYETTFSA-N
MW292.34 g/mol
LogP2.82
Rot. Bonds3

About 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135541686) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135541686
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H16N4O/c1-11-15(14-4-2-3-5-16(14)20-11)10-19-21-17(22)12-6-8-13(18)9-7-12/h2-10,20H,18H2,1H3,(H,21,22)/b19-10+
InChIKeyBAEFQJZFLUBSRK-VXLYETTFSA-N
XLogP2.82
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide 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 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (CID 135541686) is 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is BAEFQJZFLUBSRK-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-15(14-4-2-3-5-16(14)20-11)10-19-21-17(22)12-6-8-13(18)9-7-12/h2-10,20H,18H2,1H3,(H,21,22)/b19-10+.
What are the key properties of 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135541686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).