2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide

C24H33N3O2 — CID 56665400

IUPAC2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
SMILESCc1cc(C)cc(Oc2nc(C)ccc2/C(=N/C2CC(C)CC(C)(C)C2)NO)c1
InChIInChI=1S/C24H33N3O2/c1-15-9-16(2)12-20(11-15)29-23-21(8-7-18(4)25-23)22(27-28)26-19-10-17(3)13-24(5,6)14-19/h7-9,11-12,17,19,28H,10,13-14H2,1-6H3,(H,26,27)
InChIKeyBRFKKVGYOTXXMF-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.74
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide

2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide (PubChem CID 56665400) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
PubChem CID56665400
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
SMILESCc1cc(C)cc(Oc2nc(C)ccc2/C(=N/C2CC(C)CC(C)(C)C2)NO)c1
InChIInChI=1S/C24H33N3O2/c1-15-9-16(2)12-20(11-15)29-23-21(8-7-18(4)25-23)22(27-28)26-19-10-17(3)13-24(5,6)14-19/h7-9,11-12,17,19,28H,10,13-14H2,1-6H3,(H,26,27)
InChIKeyBRFKKVGYOTXXMF-UHFFFAOYSA-N
XLogP5.74
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.74
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679524
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56672920
N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
CID 56675837
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56658619
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56676193
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 56682007
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
CID 56668867
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56679439
2-(3-chloro-4-fluorophenoxy)-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56668592

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide (CID 56665400) is 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide is Cc1cc(C)cc(Oc2nc(C)ccc2/C(=N/C2CC(C)CC(C)(C)C2)NO)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
The InChIKey is BRFKKVGYOTXXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-15-9-16(2)12-20(11-15)29-23-21(8-7-18(4)25-23)22(27-28)26-19-10-17(3)13-24(5,6)14-19/h7-9,11-12,17,19,28H,10,13-14H2,1-6H3,(H,26,27).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide has a molecular weight of 395.55 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56665400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).