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

C15H18N4OS — CID 102924939

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)nc(Sc2nc(C)cc(C)c2/C(N)=N/O)c1
InChIInChI=1S/C15H18N4OS/c1-8-5-10(3)17-12(6-8)21-15-13(14(16)19-20)9(2)7-11(4)18-15/h5-7,20H,1-4H3,(H2,16,19)
InChIKeyJGHAUDZSYKQCSS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.96
Rot. Bonds3

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

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 102924939) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID102924939
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)nc(Sc2nc(C)cc(C)c2/C(N)=N/O)c1
InChIInChI=1S/C15H18N4OS/c1-8-5-10(3)17-12(6-8)21-15-13(14(16)19-20)9(2)7-11(4)18-15/h5-7,20H,1-4H3,(H2,16,19)
InChIKeyJGHAUDZSYKQCSS-UHFFFAOYSA-N
XLogP2.96
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.96
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

2-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177139
5-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 102924955
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013920
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77022734
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874
N'-hydroxy-4,6-dimethyl-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 61175028
[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
CID 102925265
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide
CID 112660075
N'-hydroxy-4,6-dimethyl-2-[methyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 61176932

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 102924939) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)nc(Sc2nc(C)cc(C)c2/C(N)=N/O)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is JGHAUDZSYKQCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-8-5-10(3)17-12(6-8)21-15-13(14(16)19-20)9(2)7-11(4)18-15/h5-7,20H,1-4H3,(H2,16,19).
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 302.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 102924939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).