N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide

C13H21N3O5 — CID 104562144

IUPACN'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
SMILESCOCCOCCOCCOc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H21N3O5/c1-18-4-5-19-6-7-20-8-9-21-12-3-2-11(10-15-12)13(14)16-17/h2-3,10,17H,4-9H2,1H3,(H2,14,16)
InChIKeyFRCQGQPCPVKLQY-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.23
Rot. Bonds11

About N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide

N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide (PubChem CID 104562144) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
PubChem CID104562144
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC NameN'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
SMILESCOCCOCCOCCOc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H21N3O5/c1-18-4-5-19-6-7-20-8-9-21-12-3-2-11(10-15-12)13(14)16-17/h2-3,10,17H,4-9H2,1H3,(H2,14,16)
InChIKeyFRCQGQPCPVKLQY-UHFFFAOYSA-N
XLogP0.23
TPSA108.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867043
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
CID 79679021
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867042
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 82960384
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
6-(2-butoxyethoxy)pyridine-3-carbothioamide
CID 29001986

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide (CID 104562144) is N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide is COCCOCCOCCOc1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide?
The InChIKey is FRCQGQPCPVKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-18-4-5-19-6-7-20-8-9-21-12-3-2-11(10-15-12)13(14)16-17/h2-3,10,17H,4-9H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide?
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide has a molecular weight of 299.33 g/mol, XLogP of 0.23, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 104562144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).