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

C12H17N5O4 — CID 136792814

IUPAC6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCN(CCOc1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CC1
InChIInChI=1S/C12H17N5O4/c1-16(8-2-3-8)6-7-21-10-5-4-9(17(19)20)11(14-10)12(13)15-18/h4-5,8,18H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyGXSDYWNXCFVJLC-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.56
Rot. Bonds7

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

6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide (PubChem CID 136792814) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
PubChem CID136792814
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCN(CCOc1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CC1
InChIInChI=1S/C12H17N5O4/c1-16(8-2-3-8)6-7-21-10-5-4-9(17(19)20)11(14-10)12(13)15-18/h4-5,8,18H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyGXSDYWNXCFVJLC-UHFFFAOYSA-N
XLogP0.56
TPSA127.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.56
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

6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide
CID 136890310
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136967800
6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768891
N'-hydroxy-6-(3-methylcyclohexyl)oxy-3-nitropyridine-2-carboximidamide
CID 136890275
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitropyridine-2-carboxylic acid
CID 102739947
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768980
N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide
CID 136890293
N'-hydroxy-6-[methyl(3-methylbutyl)amino]-3-nitropyridine-2-carboximidamide
CID 136768945
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2,3-diamine
CID 102739784

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide (CID 136792814) is 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The canonical SMILES for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide is CN(CCOc1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CC1.
What is the InChIKey of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The InChIKey is GXSDYWNXCFVJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-16(8-2-3-8)6-7-21-10-5-4-9(17(19)20)11(14-10)12(13)15-18/h4-5,8,18H,2-3,6-7H2,1H3,(H2,13,15).
What are the key properties of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide has a molecular weight of 295.30 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136792814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).