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

C11H15N5O4 — CID 136868251

IUPACN'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
SMILESCOC1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)C1
InChIInChI=1S/C11H15N5O4/c1-20-7-4-5-15(6-7)9-3-2-8(16(18)19)10(13-9)11(12)14-17/h2-3,7,17H,4-6H2,1H3,(H2,12,14)
InChIKeyKMPQMMDSAMVZEF-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.31
Rot. Bonds4

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

N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide (PubChem CID 136868251) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
PubChem CID136868251
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC NameN'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
SMILESCOC1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)C1
InChIInChI=1S/C11H15N5O4/c1-20-7-4-5-15(6-7)9-3-2-8(16(18)19)10(13-9)11(12)14-17/h2-3,7,17H,4-6H2,1H3,(H2,12,14)
InChIKeyKMPQMMDSAMVZEF-UHFFFAOYSA-N
XLogP0.31
TPSA127.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.31
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'}

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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
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768980
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768896
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136967800
methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 103534307
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890230
N'-hydroxy-6-(3-methylcyclohexyl)oxy-3-nitropyridine-2-carboximidamide
CID 136890275
N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890236
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide (CID 136868251) is N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide is COC1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)C1.
What is the InChIKey of N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
The InChIKey is KMPQMMDSAMVZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-20-7-4-5-15(6-7)9-3-2-8(16(18)19)10(13-9)11(12)14-17/h2-3,7,17H,4-6H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide?
N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide has a molecular weight of 281.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136868251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).