N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide

C20H19N3O2 — CID 56682573

IUPACN-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
SMILESCc1ccc(Oc2nc(C)ccc2/C(=N/c2ccccc2)NO)cc1
InChIInChI=1S/C20H19N3O2/c1-14-8-11-17(12-9-14)25-20-18(13-10-15(2)21-20)19(23-24)22-16-6-4-3-5-7-16/h3-13,24H,1-2H3,(H,22,23)
InChIKeyDGCJQFXJZZQTAE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.55
Rot. Bonds4

About N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide

N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide (PubChem CID 56682573) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
PubChem CID56682573
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
SMILESCc1ccc(Oc2nc(C)ccc2/C(=N/c2ccccc2)NO)cc1
InChIInChI=1S/C20H19N3O2/c1-14-8-11-17(12-9-14)25-20-18(13-10-15(2)21-20)19(23-24)22-16-6-4-3-5-7-16/h3-13,24H,1-2H3,(H,22,23)
InChIKeyDGCJQFXJZZQTAE-UHFFFAOYSA-N
XLogP4.55
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56676193
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56658619
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(3-methyl-1,2-oxazol-5-yl)pyridine-3-carboximidamide
CID 56665143
N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679524
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 56682007
2-(3-chloro-4-fluorophenoxy)-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56668592
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56679439
N'-cyclobutyl-2-dibenzofuran-2-yloxy-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56672920
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
CID 56676187
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide (CID 56682573) is N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide is Cc1ccc(Oc2nc(C)ccc2/C(=N/c2ccccc2)NO)cc1.
What is the InChIKey of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide?
The InChIKey is DGCJQFXJZZQTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-8-11-17(12-9-14)25-20-18(13-10-15(2)21-20)19(23-24)22-16-6-4-3-5-7-16/h3-13,24H,1-2H3,(H,22,23).
What are the key properties of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide?
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide has a molecular weight of 333.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide is sourced from PubChem (CID 56682573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).