N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide

C21H21N3O4 — CID 56682818

IUPACN-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
SMILESCOc1ccc(C/N=C(\NO)c2ccc(Oc3cccc(OC)c3)nc2)cc1
InChIInChI=1S/C21H21N3O4/c1-26-17-9-6-15(7-10-17)13-23-21(24-25)16-8-11-20(22-14-16)28-19-5-3-4-18(12-19)27-2/h3-12,14,25H,13H2,1-2H3,(H,23,24)
InChIKeyYVSVENRUIWRTMX-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.82
Rot. Bonds7

About N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide

N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide (PubChem CID 56682818) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
PubChem CID56682818
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
SMILESCOc1ccc(C/N=C(\NO)c2ccc(Oc3cccc(OC)c3)nc2)cc1
InChIInChI=1S/C21H21N3O4/c1-26-17-9-6-15(7-10-17)13-23-21(24-25)16-8-11-20(22-14-16)28-19-5-3-4-18(12-19)27-2/h3-12,14,25H,13H2,1-2H3,(H,23,24)
InChIKeyYVSVENRUIWRTMX-UHFFFAOYSA-N
XLogP3.82
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
CID 56675837
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111051273
1-ethyl-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]guanidine
CID 111249833
1-ethyl-2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(3-methylbutan-2-yl)guanidine
CID 111000487
1-ethyl-2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000486
2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111598481
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide
CID 56675746
1-(cyclobutylmethyl)-2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydrobromide
CID 167902962
N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56668982

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide (CID 56682818) is N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide is COc1ccc(C/N=C(\NO)c2ccc(Oc3cccc(OC)c3)nc2)cc1.
What is the InChIKey of N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
The InChIKey is YVSVENRUIWRTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-17-9-6-15(7-10-17)13-23-21(24-25)16-8-11-20(22-14-16)28-19-5-3-4-18(12-19)27-2/h3-12,14,25H,13H2,1-2H3,(H,23,24).
What are the key properties of N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide?
N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide has a molecular weight of 379.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide is sourced from PubChem (CID 56682818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).