N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide

C15H24N4O2 — CID 102632392

IUPACN'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N(C)C2CCCCC2O)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H24N4O2/c1-9-8-12(14(10(2)17-9)15(16)18-21)19(3)11-6-4-5-7-13(11)20/h8,11,13,20-21H,4-7H2,1-3H3,(H2,16,18)
InChIKeyZXAYMIFIFHWNQB-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.53
Rot. Bonds3

About N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 102632392) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID102632392
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N(C)C2CCCCC2O)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H24N4O2/c1-9-8-12(14(10(2)17-9)15(16)18-21)19(3)11-6-4-5-7-13(11)20/h8,11,13,20-21H,4-7H2,1-3H3,(H2,16,18)
InChIKeyZXAYMIFIFHWNQB-UHFFFAOYSA-N
XLogP1.53
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81038134
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054337
3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632381
3-fluoro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632369
N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054520
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633855
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 106669723
N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81038136
4-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 114341143
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053895

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide (CID 102632392) is N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(N(C)C2CCCCC2O)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is ZXAYMIFIFHWNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9-8-12(14(10(2)17-9)15(16)18-21)19(3)11-6-4-5-7-13(11)20/h8,11,13,20-21H,4-7H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 292.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 102632392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).