N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide

C17H21N3O2 — CID 59104061

IUPACN-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide
SMILESON/C=N/c1ccc(OCCCCCc2ccccc2)nc1
InChIInChI=1S/C17H21N3O2/c21-20-14-19-16-10-11-17(18-13-16)22-12-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13-14,21H,2,5-6,9,12H2,(H,19,20)
InChIKeyWYAYKMSEUMFYFX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.51
Rot. Bonds9

About N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide

N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide (PubChem CID 59104061) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide
PubChem CID59104061
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide
SMILESON/C=N/c1ccc(OCCCCCc2ccccc2)nc1
InChIInChI=1S/C17H21N3O2/c21-20-14-19-16-10-11-17(18-13-16)22-12-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13-14,21H,2,5-6,9,12H2,(H,19,20)
InChIKeyWYAYKMSEUMFYFX-UHFFFAOYSA-N
XLogP3.51
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[6-[2-(4-bromophenyl)ethoxy]-3-pyridinyl]-N-hydroxymethanimidamide
CID 59104004
N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
CID 20763545
N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide
CID 59103977
N'-(6-hexa-2,4-dienoxy-3-pyridinyl)-N-hydroxymethanimidamide
CID 72517738
2,6-bis(5-phenylpentoxy)phenol
CID 57224356
5-ethenyl-2-(2-phenylethoxy)pyridine
CID 175471058
8-(8-phenyloctoxy)octylbenzene
CID 56628536
1,1-dimethyl-3-[6-(3-phenylpropoxy)-3-pyridinyl]urea
CID 13023118
[5-(4-phenylbutoxy)-2-pyridinyl]methanol
CID 114333938
N-hydroxy-N'-[4-[(E)-2-phenylethenyl]phenyl]methanimidamide
CID 20763591
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
7-methoxyheptylbenzene
CID 54276867

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide (CID 59104061) is N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide is ON/C=N/c1ccc(OCCCCCc2ccccc2)nc1.
What is the InChIKey of N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide?
The InChIKey is WYAYKMSEUMFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-20-14-19-16-10-11-17(18-13-16)22-12-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13-14,21H,2,5-6,9,12H2,(H,19,20).
What are the key properties of N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide?
N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide has a molecular weight of 299.37 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[6-(5-phenylpentoxy)-3-pyridinyl]methanimidamide is sourced from PubChem (CID 59104061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).