6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide

C12H18N6O3 — CID 136768896

IUPAC6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCCN1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)CC1
InChIInChI=1S/C12H18N6O3/c1-2-16-5-7-17(8-6-16)10-4-3-9(18(20)21)11(14-10)12(13)15-19/h3-4,19H,2,5-8H2,1H3,(H2,13,15)
InChIKeyVNQDHFJUYRDAPK-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.23
Rot. Bonds4

About 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide

6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide (PubChem CID 136768896) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
PubChem CID136768896
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCCN1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)CC1
InChIInChI=1S/C12H18N6O3/c1-2-16-5-7-17(8-6-16)10-4-3-9(18(20)21)11(14-10)12(13)15-19/h3-4,19H,2,5-8H2,1H3,(H2,13,15)
InChIKeyVNQDHFJUYRDAPK-UHFFFAOYSA-N
XLogP0.23
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890211
N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136768975
N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136868251
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768980
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890230
N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890236
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
5-(4-ethylpiperazin-1-yl)-2-nitroaniline
CID 59845904
6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 133408202

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide (CID 136768896) is 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide is CCN1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The InChIKey is VNQDHFJUYRDAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-2-16-5-7-17(8-6-16)10-4-3-9(18(20)21)11(14-10)12(13)15-19/h3-4,19H,2,5-8H2,1H3,(H2,13,15).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide?
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide has a molecular weight of 294.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136768896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).