N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide

C12H20N4OS — CID 136952000

IUPACN'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
SMILESCSCCC(C)N(C)c1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4OS/c1-9(5-7-18-3)16(2)10-4-6-14-11(8-10)12(13)15-17/h4,6,8-9,17H,5,7H2,1-3H3,(H2,13,15)
InChIKeyHLUJWLFGZTWIQJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.75
Rot. Bonds6

About N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide

N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide (PubChem CID 136952000) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
PubChem CID136952000
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
SMILESCSCCC(C)N(C)c1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C12H20N4OS/c1-9(5-7-18-3)16(2)10-4-6-14-11(8-10)12(13)15-17/h4,6,8-9,17H,5,7H2,1-3H3,(H2,13,15)
InChIKeyHLUJWLFGZTWIQJ-UHFFFAOYSA-N
XLogP1.75
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide (CID 136952000) is N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide is CSCCC(C)N(C)c1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
The InChIKey is HLUJWLFGZTWIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(5-7-18-3)16(2)10-4-6-14-11(8-10)12(13)15-17/h4,6,8-9,17H,5,7H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide has a molecular weight of 268.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 136952000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).