N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide

C12H19N3O4 — CID 104562166

IUPACN'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide
SMILESCOCCOCCOc1nccc(C)c1/C(N)=N/O
InChIInChI=1S/C12H19N3O4/c1-9-3-4-14-12(10(9)11(13)15-16)19-8-7-18-6-5-17-2/h3-4,16H,5-8H2,1-2H3,(H2,13,15)
InChIKeyMKSLJLBNYMXBNB-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.53
Rot. Bonds8

About N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide

N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide (PubChem CID 104562166) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide
PubChem CID104562166
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide
SMILESCOCCOCCOc1nccc(C)c1/C(N)=N/O
InChIInChI=1S/C12H19N3O4/c1-9-3-4-14-12(10(9)11(13)15-16)19-8-7-18-6-5-17-2/h3-4,16H,5-8H2,1-2H3,(H2,13,15)
InChIKeyMKSLJLBNYMXBNB-UHFFFAOYSA-N
XLogP0.53
TPSA99.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.53
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

N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide
CID 136816582
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
CID 82951393
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 107284633
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867042
N'-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867043
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 116801405
2-(3-methoxy-3-methylbutoxy)-4-methylpyridine-3-carbothioamide
CID 106665717
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
[2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564183

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide (CID 104562166) is N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide is COCCOCCOc1nccc(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide?
The InChIKey is MKSLJLBNYMXBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-9-3-4-14-12(10(9)11(13)15-16)19-8-7-18-6-5-17-2/h3-4,16H,5-8H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide?
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide has a molecular weight of 269.30 g/mol, XLogP of 0.53, 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-methylpyridine-3-carboximidamide is sourced from PubChem (CID 104562166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).