N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide

C21H27N3O3 — CID 56679524

IUPACN-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
SMILESCOc1ccc(Oc2nc(C)ccc2/C(=N/C2CCC(C)CC2)NO)cc1
InChIInChI=1S/C21H27N3O3/c1-14-4-7-16(8-5-14)23-20(24-25)19-13-6-15(2)22-21(19)27-18-11-9-17(26-3)10-12-18/h6,9-14,16,25H,4-5,7-8H2,1-3H3,(H,23,24)
InChIKeyVZPDTFVPTVBPQQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.50
Rot. Bonds5

About N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide

N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide (PubChem CID 56679524) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
PubChem CID56679524
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
SMILESCOc1ccc(Oc2nc(C)ccc2/C(=N/C2CCC(C)CC2)NO)cc1
InChIInChI=1S/C21H27N3O3/c1-14-4-7-16(8-5-14)23-20(24-25)19-13-6-15(2)22-21(19)27-18-11-9-17(26-3)10-12-18/h6,9-14,16,25H,4-5,7-8H2,1-3H3,(H,23,24)
InChIKeyVZPDTFVPTVBPQQ-UHFFFAOYSA-N
XLogP4.50
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56658619
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
CID 56665400
N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56672920
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56676193
N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 56665276
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 56682007
2-(3-chloro-4-fluorophenoxy)-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56668592
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
[C-[2-(4-methoxyphenyl)ethenyl]-N-(4-methylcyclohexyl)carbonimidoyl]urea;hydrochloride
CID 70533030

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide (CID 56679524) is N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide is COc1ccc(Oc2nc(C)ccc2/C(=N/C2CCC(C)CC2)NO)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
The InChIKey is VZPDTFVPTVBPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-4-7-16(8-5-14)23-20(24-25)19-13-6-15(2)22-21(19)27-18-11-9-17(26-3)10-12-18/h6,9-14,16,25H,4-5,7-8H2,1-3H3,(H,23,24).
What are the key properties of N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide?
N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide has a molecular weight of 369.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56679524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).