N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide

C11H17N3O2 — CID 102982006

IUPACN'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
SMILESCCCC(C)Oc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H17N3O2/c1-3-4-8(2)16-10-6-5-9(7-13-10)11(12)14-15/h5-8,15H,3-4H2,1-2H3,(H2,12,14)
InChIKeyDRPYRODJODBNDC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.74
Rot. Bonds5

About N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide

N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide (PubChem CID 102982006) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
PubChem CID102982006
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
SMILESCCCC(C)Oc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C11H17N3O2/c1-3-4-8(2)16-10-6-5-9(7-13-10)11(12)14-15/h5-8,15H,3-4H2,1-2H3,(H2,12,14)
InChIKeyDRPYRODJODBNDC-UHFFFAOYSA-N
XLogP1.74
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897
(6-pentan-2-yloxy-3-pyridinyl)methanamine
CID 102980166
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 102985726
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
CID 79679021
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide (CID 102982006) is N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide is CCCC(C)Oc1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide?
The InChIKey is DRPYRODJODBNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-8(2)16-10-6-5-9(7-13-10)11(12)14-15/h5-8,15H,3-4H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide?
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide is sourced from PubChem (CID 102982006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).