3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine

C17H14N4O2 — CID 2783708

IUPAC3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
SMILESO=[N+]([O-])c1ccc(Nc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C17H14N4O2/c22-21(23)15-11-12-16(18-13-7-3-1-4-8-13)20-17(15)19-14-9-5-2-6-10-14/h1-12H,(H2,18,19,20)
InChIKeyZTWGSWOQHQHKQJ-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.48
Rot. Bonds5

About 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine

3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine (PubChem CID 2783708) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
PubChem CID2783708
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
SMILESO=[N+]([O-])c1ccc(Nc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C17H14N4O2/c22-21(23)15-11-12-16(18-13-7-3-1-4-8-13)20-17(15)19-14-9-5-2-6-10-14/h1-12H,(H2,18,19,20)
InChIKeyZTWGSWOQHQHKQJ-UHFFFAOYSA-N
XLogP4.48
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
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 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine 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-nitro-2-N,6-N-diphenylpyridine-2,6-diamine?
The IUPAC name of 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine (CID 2783708) is 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine?
The canonical SMILES for 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine is O=[N+]([O-])c1ccc(Nc2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine?
The InChIKey is ZTWGSWOQHQHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-21(23)15-11-12-16(18-13-7-3-1-4-8-13)20-17(15)19-14-9-5-2-6-10-14/h1-12H,(H2,18,19,20).
What are the key properties of 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine?
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine has a molecular weight of 306.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine is sourced from PubChem (CID 2783708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).