N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide

C24H23N5O2 — CID 56675746

IUPACN'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide
SMILESCc1cc(C)cc(C/N=C(\NO)c2ccc(Oc3ccc(-n4ccnc4)cc3)nc2)c1
InChIInChI=1S/C24H23N5O2/c1-17-11-18(2)13-19(12-17)14-27-24(28-30)20-3-8-23(26-15-20)31-22-6-4-21(5-7-22)29-10-9-25-16-29/h3-13,15-16,30H,14H2,1-2H3,(H,27,28)
InChIKeyCOOLNIUJEGGJML-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.60
Rot. Bonds6

About N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide

N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide (PubChem CID 56675746) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide
PubChem CID56675746
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide
SMILESCc1cc(C)cc(C/N=C(\NO)c2ccc(Oc3ccc(-n4ccnc4)cc3)nc2)c1
InChIInChI=1S/C24H23N5O2/c1-17-11-18(2)13-19(12-17)14-27-24(28-30)20-3-8-23(26-15-20)31-22-6-4-21(5-7-22)29-10-9-25-16-29/h3-13,15-16,30H,14H2,1-2H3,(H,27,28)
InChIKeyCOOLNIUJEGGJML-UHFFFAOYSA-N
XLogP4.60
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.60
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'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 56682818
N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56668982
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56682141
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
(4-imidazol-1-ylphenyl) acetate
CID 594823
1-(4-imidazol-1-ylphenyl)ethanimine
CID 167508669
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide (CID 56675746) is N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide is Cc1cc(C)cc(C/N=C(\NO)c2ccc(Oc3ccc(-n4ccnc4)cc3)nc2)c1.
What is the InChIKey of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide?
The InChIKey is COOLNIUJEGGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17-11-18(2)13-19(12-17)14-27-24(28-30)20-3-8-23(26-15-20)31-22-6-4-21(5-7-22)29-10-9-25-16-29/h3-13,15-16,30H,14H2,1-2H3,(H,27,28).
What are the key properties of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide?
N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide has a molecular weight of 413.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56675746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).