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

C13H19N5O3 — CID 136768891

IUPAC6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCN(c1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CCCCC1
InChIInChI=1S/C13H19N5O3/c1-17(9-5-3-2-4-6-9)11-8-7-10(18(20)21)12(15-11)13(14)16-19/h7-9,19H,2-6H2,1H3,(H2,14,16)
InChIKeyDIJDPWUNRGRKGA-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.85
Rot. Bonds4

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

6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide (PubChem CID 136768891) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
PubChem CID136768891
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCN(c1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CCCCC1
InChIInChI=1S/C13H19N5O3/c1-17(9-5-3-2-4-6-9)11-8-7-10(18(20)21)12(15-11)13(14)16-19/h7-9,19H,2-6H2,1H3,(H2,14,16)
InChIKeyDIJDPWUNRGRKGA-UHFFFAOYSA-N
XLogP1.85
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide (CID 136768891) is 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide is CN(c1ccc([N+](=O)[O-])c(/C(N)=N/O)n1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The InChIKey is DIJDPWUNRGRKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-17(9-5-3-2-4-6-9)11-8-7-10(18(20)21)12(15-11)13(14)16-19/h7-9,19H,2-6H2,1H3,(H2,14,16).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide?
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide has a molecular weight of 293.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136768891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).