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'}

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Related Compounds

3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80928418
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine
CID 79825461
2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 67995867
6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 80750781
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067
N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine
CID 67312149
6-N-methyl-3-nitro-2-N-(2,4,5-trichlorophenyl)pyridine-2,6-diamine
CID 80748177
ethane;methyl 4-[(3-nitro-6-phenyl-2-pyridinyl)amino]benzoate
CID 171069091
2-N-(4-bromo-3-chlorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617867

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).