N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide

C12H20N4OS — CID 136920625

IUPACN'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
SMILESCCC(CSC)N(C)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C12H20N4OS/c1-4-9(8-18-3)16(2)10-5-6-11(14-7-10)12(13)15-17/h5-7,9,17H,4,8H2,1-3H3,(H2,13,15)
InChIKeyVEJXVPHCHVWRHB-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.75
Rot. Bonds6

About N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide

N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide (PubChem CID 136920625) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
PubChem CID136920625
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
SMILESCCC(CSC)N(C)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C12H20N4OS/c1-4-9(8-18-3)16(2)10-5-6-11(14-7-10)12(13)15-17/h5-7,9,17H,4,8H2,1-3H3,(H2,13,15)
InChIKeyVEJXVPHCHVWRHB-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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Related Compounds

1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112661743
6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
CID 103955063
N'-hydroxy-4-methyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
CID 112660044
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
CID 136990608
5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990635
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
CID 104638983
5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990709
N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136952000

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide (CID 136920625) is N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide is CCC(CSC)N(C)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
The InChIKey is VEJXVPHCHVWRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-9(8-18-3)16(2)10-5-6-11(14-7-10)12(13)15-17/h5-7,9,17H,4,8H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide?
N'-hydroxy-5-[methyl(1-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-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 136920625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).