6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide

C23H25N3O3 — CID 56669236

IUPAC6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide
SMILESCCOc1ccccc1C/N=C(\NO)c1ccc(Oc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C23H25N3O3/c1-4-28-21-8-6-5-7-18(21)14-25-23(26-27)19-9-10-22(24-15-19)29-20-12-16(2)11-17(3)13-20/h5-13,15,27H,4,14H2,1-3H3,(H,25,26)
InChIKeyBDNQCSTUUJZAEG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.82
Rot. Bonds7

About 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide

6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide (PubChem CID 56669236) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide
PubChem CID56669236
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide
SMILESCCOc1ccccc1C/N=C(\NO)c1ccc(Oc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C23H25N3O3/c1-4-28-21-8-6-5-7-18(21)14-25-23(26-27)19-9-10-22(24-15-19)29-20-12-16(2)11-17(3)13-20/h5-13,15,27H,4,14H2,1-3H3,(H,25,26)
InChIKeyBDNQCSTUUJZAEG-UHFFFAOYSA-N
XLogP4.82
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56678921
N'-[(2-fluorophenyl)methyl]-N-hydroxy-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56682591
N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56682141
N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide
CID 56675746
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
2-(2,5-dichlorophenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56682010
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
2-[(2-ethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111044300
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56668982
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111882078

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide (CID 56669236) is 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide is CCOc1ccccc1C/N=C(\NO)c1ccc(Oc2cc(C)cc(C)c2)nc1.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide?
The InChIKey is BDNQCSTUUJZAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-28-21-8-6-5-7-18(21)14-25-23(26-27)19-9-10-22(24-15-19)29-20-12-16(2)11-17(3)13-20/h5-13,15,27H,4,14H2,1-3H3,(H,25,26).
What are the key properties of 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide?
6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide has a molecular weight of 391.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 56669236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).