2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine

C11H14N6O2 — CID 80808353

IUPAC2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1
InChIInChI=1S/C11H14N6O2/c1-12-10-3-2-9(17(18)19)11(15-10)14-5-7-16-6-4-13-8-16/h2-4,6,8H,5,7H2,1H3,(H2,12,14,15)
InChIKeyGUOPGPJSMJSIFJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.34
Rot. Bonds6

About 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine

2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine (PubChem CID 80808353) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
PubChem CID80808353
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1
InChIInChI=1S/C11H14N6O2/c1-12-10-3-2-9(17(18)19)11(15-10)14-5-7-16-6-4-13-8-16/h2-4,6,8H,5,7H2,1H3,(H2,12,14,15)
InChIKeyGUOPGPJSMJSIFJ-UHFFFAOYSA-N
XLogP1.34
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403816
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
6-N-methyl-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80853815
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
CID 61324302
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
CID 107818912

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine (CID 80808353) is 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1.
What is the InChIKey of 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The InChIKey is GUOPGPJSMJSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-12-10-3-2-9(17(18)19)11(15-10)14-5-7-16-6-4-13-8-16/h2-4,6,8H,5,7H2,1H3,(H2,12,14,15).
What are the key properties of 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine has a molecular weight of 262.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80808353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).