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

C12H19N3O2 — CID 24705092

IUPACN'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
SMILESCC(C)CC(C)Oc1ncccc1/C(N)=N/O
InChIInChI=1S/C12H19N3O2/c1-8(2)7-9(3)17-12-10(11(13)15-16)5-4-6-14-12/h4-6,8-9,16H,7H2,1-3H3,(H2,13,15)
InChIKeyJDJWLBJJAFKHRM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds5

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

N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide (PubChem CID 24705092) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
PubChem CID24705092
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
SMILESCC(C)CC(C)Oc1ncccc1/C(N)=N/O
InChIInChI=1S/C12H19N3O2/c1-8(2)7-9(3)17-12-10(11(13)15-16)5-4-6-14-12/h4-6,8-9,16H,7H2,1-3H3,(H2,13,15)
InChIKeyJDJWLBJJAFKHRM-UHFFFAOYSA-N
XLogP1.99
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
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

3-bromo-2-(4-methylpentan-2-yloxy)pyridine
CID 61373380
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 43108551
3-(4-methylpentan-2-yloxy)pyrazine-2-carbothioamide
CID 62684466
N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76917058
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
CID 24699534
2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
CID 56675331
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364411
N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
CID 104552120

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide (CID 24705092) is N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide is CC(C)CC(C)Oc1ncccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
The InChIKey is JDJWLBJJAFKHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)7-9(3)17-12-10(11(13)15-16)5-4-6-14-12/h4-6,8-9,16H,7H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide?
N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide has a molecular weight of 237.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide is sourced from PubChem (CID 24705092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).