6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide

C13H14N4OS — CID 102924931

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
SMILESCc1cc(C)nc(Sc2ccc(/C(N)=N/O)cn2)c1
InChIInChI=1S/C13H14N4OS/c1-8-5-9(2)16-12(6-8)19-11-4-3-10(7-15-11)13(14)17-18/h3-7,18H,1-2H3,(H2,14,17)
InChIKeyCZQYWYLFCDUUAC-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.34
Rot. Bonds3

About 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 102924931) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
PubChem CID102924931
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
SMILESCc1cc(C)nc(Sc2ccc(/C(N)=N/O)cn2)c1
InChIInChI=1S/C13H14N4OS/c1-8-5-9(2)16-12(6-8)19-11-4-3-10(7-15-11)13(14)17-18/h3-7,18H,1-2H3,(H2,14,17)
InChIKeyCZQYWYLFCDUUAC-UHFFFAOYSA-N
XLogP2.34
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 77070116
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102924939
5-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 102924955
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013920
N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 43187657
N'-hydroxy-6-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboximidamide
CID 76948880
2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013878
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908
N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
CID 77112983
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102924507

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide (CID 102924931) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide is Cc1cc(C)nc(Sc2ccc(/C(N)=N/O)cn2)c1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is CZQYWYLFCDUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8-5-9(2)16-12(6-8)19-11-4-3-10(7-15-11)13(14)17-18/h3-7,18H,1-2H3,(H2,14,17).
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 274.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 102924931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).