N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide

C9H13N3O2S — CID 77112983

IUPACN'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(SCCCO)nc1
InChIInChI=1S/C9H13N3O2S/c10-9(12-14)7-2-3-8(11-6-7)15-5-1-4-13/h2-3,6,13-14H,1,4-5H2,(H2,10,12)
InChIKeyFPDBFYKBRXNESH-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.65
Rot. Bonds5

About N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide

N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide (PubChem CID 77112983) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
PubChem CID77112983
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(SCCCO)nc1
InChIInChI=1S/C9H13N3O2S/c10-9(12-14)7-2-3-8(11-6-7)15-5-1-4-13/h2-3,6,13-14H,1,4-5H2,(H2,10,12)
InChIKeyFPDBFYKBRXNESH-UHFFFAOYSA-N
XLogP0.65
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.65
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

6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
N'-hydroxy-6-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboximidamide
CID 76948880
6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 60884933
6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 77070116
N'-hydroxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide
CID 77112944
N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 43187657
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885
1-(6-pentylsulfanyl-3-pyridinyl)ethanone
CID 107750422
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide (CID 77112983) is N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide is NC(=NO)c1ccc(SCCCO)nc1.
What is the InChIKey of N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide?
The InChIKey is FPDBFYKBRXNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-9(12-14)7-2-3-8(11-6-7)15-5-1-4-13/h2-3,6,13-14H,1,4-5H2,(H2,10,12).
What are the key properties of N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide?
N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide has a molecular weight of 227.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide is sourced from PubChem (CID 77112983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).