6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide

C11H16N4O5 — CID 103488543

IUPAC6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCOCC(C)Oc1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5/c1-3-19-6-7(2)20-11-9(15(17)18)4-8(5-13-11)10(12)14-16/h4-5,7,16H,3,6H2,1-2H3,(H2,12,14)
InChIKeyDAVSIZIEBHGWTO-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.89
Rot. Bonds7

About 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide

6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103488543) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103488543
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCCOCC(C)Oc1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5/c1-3-19-6-7(2)20-11-9(15(17)18)4-8(5-13-11)10(12)14-16/h4-5,7,16H,3,6H2,1-2H3,(H2,12,14)
InChIKeyDAVSIZIEBHGWTO-UHFFFAOYSA-N
XLogP0.89
TPSA133.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.89
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-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
6-butan-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 81437892
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470626
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76922536
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470370
6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368
methyl 6-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-5-nitropyridine-3-carboxylate
CID 118022689
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470406
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107480069
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470498

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103488543) is 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide is CCOCC(C)Oc1ncc(C(N)=NO)cc1[N+](=O)[O-].
What is the InChIKey of 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is DAVSIZIEBHGWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-3-19-6-7(2)20-11-9(15(17)18)4-8(5-13-11)10(12)14-16/h4-5,7,16H,3,6H2,1-2H3,(H2,12,14).
What are the key properties of 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 284.27 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103488543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).