4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C16H26N4O — CID 81038134

IUPAC4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N(C)CC2CCCCC2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C16H26N4O/c1-11-9-14(15(12(2)18-11)16(17)19-21)20(3)10-13-7-5-4-6-8-13/h9,13,21H,4-8,10H2,1-3H3,(H2,17,19)
InChIKeySZUKRJNFLMZYDY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.81
Rot. Bonds4

About 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81038134) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81038134
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N(C)CC2CCCCC2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C16H26N4O/c1-11-9-14(15(12(2)18-11)16(17)19-21)20(3)10-13-7-5-4-6-8-13/h9,13,21H,4-8,10H2,1-3H3,(H2,17,19)
InChIKeySZUKRJNFLMZYDY-UHFFFAOYSA-N
XLogP2.81
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.81
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'}

Analyze 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-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

2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76950939
N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 102632392
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053895
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
N'-hydroxy-2,6-dimethyl-4-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81035315
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77022734
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 106587056
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
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054337

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81038134) is 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(N(C)CC2CCCCC2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is SZUKRJNFLMZYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-9-14(15(12(2)18-11)16(17)19-21)20(3)10-13-7-5-4-6-8-13/h9,13,21H,4-8,10H2,1-3H3,(H2,17,19).
What are the key properties of 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 290.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81038134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).