N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide

C10H15N5O3S — CID 103954983

IUPACN'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide
SMILESCSCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=NO
InChIInChI=1S/C10H15N5O3S/c1-14(3-4-19-2)10-8(9(11)13-16)5-7(6-12-10)15(17)18/h5-6,16H,3-4H2,1-2H3,(H2,11,13)
InChIKeyIZDHEJBNTAEDMH-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.88
Rot. Bonds6

About N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide

N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide (PubChem CID 103954983) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide
PubChem CID103954983
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC NameN'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide
SMILESCSCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=NO
InChIInChI=1S/C10H15N5O3S/c1-14(3-4-19-2)10-8(9(11)13-16)5-7(6-12-10)15(17)18/h5-6,16H,3-4H2,1-2H3,(H2,11,13)
InChIKeyIZDHEJBNTAEDMH-UHFFFAOYSA-N
XLogP0.88
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77017344
N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide
CID 76935186
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carboximidamide
CID 55060974
N'-hydroxy-2-[methyl(2-methylbutyl)amino]-5-nitropyridine-3-carboximidamide
CID 76935187
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 76935259
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 62099214
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935257
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107398959
2-butan-2-ylsulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935115
N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
CID 136863160
N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
CID 55037210
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide (CID 103954983) is N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide is CSCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide?
The InChIKey is IZDHEJBNTAEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-14(3-4-19-2)10-8(9(11)13-16)5-7(6-12-10)15(17)18/h5-6,16H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide?
N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide has a molecular weight of 285.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103954983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).