6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide

C11H15N5O3 — CID 136768902

IUPAC6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCCN(c1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CC1
InChIInChI=1S/C11H15N5O3/c1-2-15(7-3-4-7)9-6-5-8(16(18)19)10(13-9)11(12)14-17/h5-7,17H,2-4H2,1H3,(H2,12,14)
InChIKeyBTSJMDCGFDXVMZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.07
Rot. Bonds5

About 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide

6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide (PubChem CID 136768902) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
PubChem CID136768902
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCCN(c1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CC1
InChIInChI=1S/C11H15N5O3/c1-2-15(7-3-4-7)9-6-5-8(16(18)19)10(13-9)11(12)14-17/h5-7,17H,2-4H2,1H3,(H2,12,14)
InChIKeyBTSJMDCGFDXVMZ-UHFFFAOYSA-N
XLogP1.07
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768891
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768970
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136792814
N'-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-3-nitropyridine-2-carboximidamide
CID 136768958
N'-hydroxy-6-[methyl(3-methylbutyl)amino]-3-nitropyridine-2-carboximidamide
CID 136768945
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768980
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136967800
N'-hydroxy-6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890211
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768896
4-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934936

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The IUPAC name of 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide (CID 136768902) is 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The canonical SMILES for 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide is CCN(c1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The InChIKey is BTSJMDCGFDXVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-2-15(7-3-4-7)9-6-5-8(16(18)19)10(13-9)11(12)14-17/h5-7,17H,2-4H2,1H3,(H2,12,14).
What are the key properties of 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide has a molecular weight of 265.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136768902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).