5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide

C12H18N4O — CID 136967271

IUPAC5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCN(c1ccc(/C(N)=N/O)nc1)C1CCCC1
InChIInChI=1S/C12H18N4O/c1-16(9-4-2-3-5-9)10-6-7-11(14-8-10)12(13)15-17/h6-9,17H,2-5H2,1H3,(H2,13,15)
InChIKeyKTKPFYPYMDRRLT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.55
Rot. Bonds3

About 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide

5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136967271) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136967271
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCN(c1ccc(/C(N)=N/O)nc1)C1CCCC1
InChIInChI=1S/C12H18N4O/c1-16(9-4-2-3-5-9)10-6-7-11(14-8-10)12(13)15-17/h6-9,17H,2-5H2,1H3,(H2,13,15)
InChIKeyKTKPFYPYMDRRLT-UHFFFAOYSA-N
XLogP1.55
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.55
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

5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990709
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773
5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136865121
5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990584
N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005127
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
N-cyclohexyl-6-hydrazinyl-N-methylpyridin-3-amine
CID 82055075
N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 136967342
5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990635

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide (CID 136967271) is 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide is CN(c1ccc(/C(N)=N/O)nc1)C1CCCC1.
What is the InChIKey of 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is KTKPFYPYMDRRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(9-4-2-3-5-9)10-6-7-11(14-8-10)12(13)15-17/h6-9,17H,2-5H2,1H3,(H2,13,15).
What are the key properties of 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide?
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136967271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).