N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide

C13H22N4OS — CID 136896845

IUPACN'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
SMILESCSCCCCCNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H22N4OS/c1-19-8-4-2-3-6-15-10-11-5-7-16-12(9-11)13(14)17-18/h5,7,9,15,18H,2-4,6,8,10H2,1H3,(H2,14,17)
InChIKeyOLYIPIIDHDBLJU-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds9

About N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide (PubChem CID 136896845) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
PubChem CID136896845
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
SMILESCSCCCCCNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H22N4OS/c1-19-8-4-2-3-6-15-10-11-5-7-16-12(9-11)13(14)17-18/h5,7,9,15,18H,2-4,6,8,10H2,1H3,(H2,14,17)
InChIKeyOLYIPIIDHDBLJU-UHFFFAOYSA-N
XLogP1.80
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
N'-hydroxy-3-[(4-methylsulfanylbutylamino)methyl]benzenecarboximidamide
CID 113487670
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
N'-hydroxy-4-(pentylsulfanylmethyl)pyridine-2-carboximidamide
CID 136806090
N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
CID 136759655
N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136762569
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
CID 136824793
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide (CID 136896845) is N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide is CSCCCCCNCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide?
The InChIKey is OLYIPIIDHDBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-19-8-4-2-3-6-15-10-11-5-7-16-12(9-11)13(14)17-18/h5,7,9,15,18H,2-4,6,8,10H2,1H3,(H2,14,17).
What are the key properties of N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide has a molecular weight of 282.41 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136896845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).