N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine

C19H14N4O2 — CID 22724069

IUPACN-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C19H14N4O2/c24-23(25)18-9-4-11-20-19(18)21-15-6-3-7-16(13-15)22-12-10-14-5-1-2-8-17(14)22/h1-13H,(H,20,21)
InChIKeyQKGXUQAGUJUEFG-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.68
Rot. Bonds4

About N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine

N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine (PubChem CID 22724069) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine
PubChem CID22724069
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C19H14N4O2/c24-23(25)18-9-4-11-20-19(18)21-15-6-3-7-16(13-15)22-12-10-14-5-1-2-8-17(14)22/h1-13H,(H,20,21)
InChIKeyQKGXUQAGUJUEFG-UHFFFAOYSA-N
XLogP4.68
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine 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 N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine (CID 22724069) is N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1Nc1cccc(-n2ccc3ccccc32)c1.
What is the InChIKey of N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine?
The InChIKey is QKGXUQAGUJUEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-23(25)18-9-4-11-20-19(18)21-15-6-3-7-16(13-15)22-12-10-14-5-1-2-8-17(14)22/h1-13H,(H,20,21).
What are the key properties of N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine?
N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine has a molecular weight of 330.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 22724069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).