N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide

C21H27N3O3 — CID 56658619

IUPACN'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
SMILESCOc1ccc(Oc2nc(C)ccc2/C(=N/CC2CCCCC2)NO)cc1
InChIInChI=1S/C21H27N3O3/c1-15-8-13-19(20(24-25)22-14-16-6-4-3-5-7-16)21(23-15)27-18-11-9-17(26-2)10-12-18/h8-13,16,25H,3-7,14H2,1-2H3,(H,22,24)
InChIKeyYJBSCBVYOQACLK-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.50
Rot. Bonds6

About N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide

N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide (PubChem CID 56658619) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
PubChem CID56658619
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
SMILESCOc1ccc(Oc2nc(C)ccc2/C(=N/CC2CCCCC2)NO)cc1
InChIInChI=1S/C21H27N3O3/c1-15-8-13-19(20(24-25)22-14-16-6-4-3-5-7-16)21(23-15)27-18-11-9-17(26-2)10-12-18/h8-13,16,25H,3-7,14H2,1-2H3,(H,22,24)
InChIKeyYJBSCBVYOQACLK-UHFFFAOYSA-N
XLogP4.50
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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'}

Analyze N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679524
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
CID 56668867
N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56672920
2-(3,5-dimethylphenoxy)-N-hydroxy-6-methyl-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
CID 56665400
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboxamide
CID 79868967
6-methyl-2-(4-methylphenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776104
N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide
CID 154146696
(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
CID 56676187
1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine
CID 111084505

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide?
The IUPAC name of N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide (CID 56658619) is N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide is COc1ccc(Oc2nc(C)ccc2/C(=N/CC2CCCCC2)NO)cc1.
What is the InChIKey of N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide?
The InChIKey is YJBSCBVYOQACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-8-13-19(20(24-25)22-14-16-6-4-3-5-7-16)21(23-15)27-18-11-9-17(26-2)10-12-18/h8-13,16,25H,3-7,14H2,1-2H3,(H,22,24).
What are the key properties of N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide?
N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide has a molecular weight of 369.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 56658619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).