N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide

C13H21N3O4 — CID 104562174

IUPACN'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILESCOCCOCCOc1nc(C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C13H21N3O4/c1-9-8-10(2)15-13(11(9)12(14)16-17)20-7-6-19-5-4-18-3/h8,17H,4-7H2,1-3H3,(H2,14,16)
InChIKeyWAUHZWWGCUNMIR-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.83
Rot. Bonds8

About N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 104562174) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID104562174
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILESCOCCOCCOc1nc(C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C13H21N3O4/c1-9-8-10(2)15-13(11(9)12(14)16-17)20-7-6-19-5-4-18-3/h8,17H,4-7H2,1-3H3,(H2,14,16)
InChIKeyWAUHZWWGCUNMIR-UHFFFAOYSA-N
XLogP0.83
TPSA99.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide
CID 104562166
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176560
4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447664
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257365
N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054457
[2-[2-(3-methoxypropoxy)ethoxy]-4,6-dimethyl-3-pyridinyl]methanamine
CID 103176709
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide (CID 104562174) is N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide is COCCOCCOc1nc(C)cc(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is WAUHZWWGCUNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9-8-10(2)15-13(11(9)12(14)16-17)20-7-6-19-5-4-18-3/h8,17H,4-7H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 283.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 104562174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).