3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide

C14H21ClN4O — CID 136739366

IUPAC3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
SMILESCN(CC1CCCCC1)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H21ClN4O/c1-19(9-10-5-3-2-4-6-10)14-12(15)11(7-8-17-14)13(16)18-20/h7-8,10,20H,2-6,9H2,1H3,(H2,16,18)
InChIKeySRBZAJALGLPDDE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.85
Rot. Bonds4

About 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739366) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739366
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
SMILESCN(CC1CCCCC1)c1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C14H21ClN4O/c1-19(9-10-5-3-2-4-6-10)14-12(15)11(7-8-17-14)13(16)18-20/h7-8,10,20H,2-6,9H2,1H3,(H2,16,18)
InChIKeySRBZAJALGLPDDE-UHFFFAOYSA-N
XLogP2.85
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.85
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'}

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Related Compounds

3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
CID 136739462
3-chloro-N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739474
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
3-chloro-2-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739417
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
CID 137006835
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336
3-chloro-N'-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739301
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide (CID 136739366) is 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide is CN(CC1CCCCC1)c1nccc(/C(N)=N/O)c1Cl.
What is the InChIKey of 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is SRBZAJALGLPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-19(9-10-5-3-2-4-6-10)14-12(15)11(7-8-17-14)13(16)18-20/h7-8,10,20H,2-6,9H2,1H3,(H2,16,18).
What are the key properties of 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 296.80 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).