6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine

C15H18N4O2 — CID 80750781

IUPAC6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(Nc2ccccc2CC)n1
InChIInChI=1S/C15H18N4O2/c1-3-11-7-5-6-8-12(11)17-15-13(19(20)21)9-10-14(18-15)16-4-2/h5-10H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyIKVDITOBDRJPMD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.73
Rot. Bonds6

About 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine

6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine (PubChem CID 80750781) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
PubChem CID80750781
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(Nc2ccccc2CC)n1
InChIInChI=1S/C15H18N4O2/c1-3-11-7-5-6-8-12(11)17-15-13(19(20)21)9-10-14(18-15)16-4-2/h5-10H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyIKVDITOBDRJPMD-UHFFFAOYSA-N
XLogP3.73
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.73
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

2-N-(2,4-dibromophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80781437
2-N-(5-bromo-2-methylphenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774059
2-N-(2-bromo-5-chlorophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 81255899
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80911491
6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
CID 80805285
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
2-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80795505
4-N,6-N-bis(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482571

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine (CID 80750781) is 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(Nc2ccccc2CC)n1.
What is the InChIKey of 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine?
The InChIKey is IKVDITOBDRJPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-11-7-5-6-8-12(11)17-15-13(19(20)21)9-10-14(18-15)16-4-2/h5-10H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine?
6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine has a molecular weight of 286.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80750781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).