N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide

C15H17N3OS — CID 137013924

IUPACN'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(SCc2ccccc2C)n1
InChIInChI=1S/C15H17N3OS/c1-10-5-3-4-6-12(10)9-20-14-8-13(15(16)18-19)7-11(2)17-14/h3-8,19H,9H2,1-2H3,(H2,16,18)
InChIKeyATLVNQLCSSMMQQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.09
Rot. Bonds4

About N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide

N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide (PubChem CID 137013924) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
PubChem CID137013924
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(SCc2ccccc2C)n1
InChIInChI=1S/C15H17N3OS/c1-10-5-3-4-6-12(10)9-20-14-8-13(15(16)18-19)7-11(2)17-14/h3-8,19H,9H2,1-2H3,(H2,16,18)
InChIKeyATLVNQLCSSMMQQ-UHFFFAOYSA-N
XLogP3.09
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.09
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

3,5-difluoro-N'-hydroxy-4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 81287052
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013920
2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013878
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908
6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboximidamide
CID 107551838
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013848
6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720333
5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
CID 83267578
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719
N'-hydroxy-3-methyl-4-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780335
4-chloro-6-[(2-methylphenyl)methylsulfanyl]-2-propan-2-ylpyrimidine
CID 80951036

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide (CID 137013924) is N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(SCc2ccccc2C)n1.
What is the InChIKey of N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide?
The InChIKey is ATLVNQLCSSMMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-5-3-4-6-12(10)9-20-14-8-13(15(16)18-19)7-11(2)17-14/h3-8,19H,9H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide has a molecular weight of 287.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide is sourced from PubChem (CID 137013924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).