6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide

C12H18N6O3 — CID 136768980

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCN(C)C1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)C1
InChIInChI=1S/C12H18N6O3/c1-16(2)8-5-6-17(7-8)10-4-3-9(18(20)21)11(14-10)12(13)15-19/h3-4,8,19H,5-7H2,1-2H3,(H2,13,15)
InChIKeyLIKHMOFYIJCJRO-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.22
Rot. Bonds4

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide

6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide (PubChem CID 136768980) has the molecular formula C12H18N6O3 and a molecular weight of 294.32 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
PubChem CID136768980
Molecular FormulaC12H18N6O3
Molecular Weight294.32 g/mol
Exact Mass294.14
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCN(C)C1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)C1
InChIInChI=1S/C12H18N6O3/c1-16(2)8-5-6-17(7-8)10-4-3-9(18(20)21)11(14-10)12(13)15-19/h3-4,8,19H,5-7H2,1-2H3,(H2,13,15)
InChIKeyLIKHMOFYIJCJRO-UHFFFAOYSA-N
XLogP0.22
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.22
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
N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136868251
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768896
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768891
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
2-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76986788
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136792814
1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 55158602
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890230
6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide (CID 136768980) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide is CN(C)C1CCN(c2ccc([N+](=O)[O-])c(/C(N)=N/O)n2)C1.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The InChIKey is LIKHMOFYIJCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-16(2)8-5-6-17(7-8)10-4-3-9(18(20)21)11(14-10)12(13)15-19/h3-4,8,19H,5-7H2,1-2H3,(H2,13,15).
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide has a molecular weight of 294.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136768980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).