N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide

C14H15N3O3 — CID 136990781

IUPACN'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OCCOc2ccccc2)cn1
InChIInChI=1S/C14H15N3O3/c15-14(17-18)13-7-6-12(10-16-13)20-9-8-19-11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H2,15,17)
InChIKeyPKGSGGAQRMIXCA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.63
Rot. Bonds6

About N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide

N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide (PubChem CID 136990781) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
PubChem CID136990781
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OCCOc2ccccc2)cn1
InChIInChI=1S/C14H15N3O3/c15-14(17-18)13-7-6-12(10-16-13)20-9-8-19-11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H2,15,17)
InChIKeyPKGSGGAQRMIXCA-UHFFFAOYSA-N
XLogP1.63
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-5-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867042
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
5-(2-cyclopropylethoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136731200
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
N'-hydroxy-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide
CID 136967354
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 136967342

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide (CID 136990781) is N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(OCCOc2ccccc2)cn1.
What is the InChIKey of N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide?
The InChIKey is PKGSGGAQRMIXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-14(17-18)13-7-6-12(10-16-13)20-9-8-19-11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H2,15,17).
What are the key properties of N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide?
N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide has a molecular weight of 273.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 136990781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).