N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide

C14H23N3O2 — CID 81054526

IUPACN'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
SMILESCc1cc(OC(C)CC(C)C)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-8(2)6-10(4)19-12-7-9(3)16-11(5)13(12)14(15)17-18/h7-8,10,18H,6H2,1-5H3,(H2,15,17)
InChIKeyIOYWPXYAZJJSQX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.61
Rot. Bonds5

About N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide

N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide (PubChem CID 81054526) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
PubChem CID81054526
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
SMILESCc1cc(OC(C)CC(C)C)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-8(2)6-10(4)19-12-7-9(3)16-11(5)13(12)14(15)17-18/h7-8,10,18H,6H2,1-5H3,(H2,15,17)
InChIKeyIOYWPXYAZJJSQX-UHFFFAOYSA-N
XLogP2.61
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.61
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-(1-methoxypropan-2-yloxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054528
4-(1-ethoxypropan-2-yloxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 103488491
N'-hydroxy-4-(2-hydroxyethoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054803
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054457
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
N'-hydroxy-4-(2-methoxyphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81035865
N'-hydroxy-2,6-dimethyl-4-(3-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107749803
N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036684
4-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 114341143
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289
N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054520

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide (CID 81054526) is N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide is Cc1cc(OC(C)CC(C)C)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
The InChIKey is IOYWPXYAZJJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(2)6-10(4)19-12-7-9(3)16-11(5)13(12)14(15)17-18/h7-8,10,18H,6H2,1-5H3,(H2,15,17).
What are the key properties of N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide is sourced from PubChem (CID 81054526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).