N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide

C23H25N3O3S — CID 56682007

IUPACN-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccccc1C/N=C(\NO)c1ccc(C)nc1Oc1ccc(SC)c(C)c1
InChIInChI=1S/C23H25N3O3S/c1-15-13-18(10-12-21(15)30-4)29-23-19(11-9-16(2)25-23)22(26-27)24-14-17-7-5-6-8-20(17)28-3/h5-13,27H,14H2,1-4H3,(H,24,26)
InChIKeyMXWNPFSMILUBHG-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.15
Rot. Bonds7

About N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide

N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide (PubChem CID 56682007) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
PubChem CID56682007
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccccc1C/N=C(\NO)c1ccc(C)nc1Oc1ccc(SC)c(C)c1
InChIInChI=1S/C23H25N3O3S/c1-15-13-18(10-12-21(15)30-4)29-23-19(11-9-16(2)25-23)22(26-27)24-14-17-7-5-6-8-20(17)28-3/h5-13,27H,14H2,1-4H3,(H,24,26)
InChIKeyMXWNPFSMILUBHG-UHFFFAOYSA-N
XLogP5.15
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.15
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

2-(3-chloro-4-fluorophenoxy)-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56668592
2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56672502
2-(2,5-dichlorophenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56682010
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine
CID 56665434
N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679524
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414
N-[(2-methoxyphenyl)methyl]-1-(5-methylpyrazin-2-yl)ethanimine
CID 118868168
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 79407873
N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 56669355
1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide (CID 56682007) is N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide is COc1ccccc1C/N=C(\NO)c1ccc(C)nc1Oc1ccc(SC)c(C)c1.
What is the InChIKey of N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
The InChIKey is MXWNPFSMILUBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15-13-18(10-12-21(15)30-4)29-23-19(11-9-16(2)25-23)22(26-27)24-14-17-7-5-6-8-20(17)28-3/h5-13,27H,14H2,1-4H3,(H,24,26).
What are the key properties of N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide has a molecular weight of 423.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56682007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).