N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide

C16H19N3O2 — CID 56681981

IUPACN'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)12-5-4-6-13(9-12)21-16-14(15(17)19-20)8-7-11(3)18-16/h4-10,20H,1-3H3,(H2,17,19)
InChIKeyYUSIOADKIHGYLD-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.40
Rot. Bonds4

About N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide (PubChem CID 56681981) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
PubChem CID56681981
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)12-5-4-6-13(9-12)21-16-14(15(17)19-20)8-7-11(3)18-16/h4-10,20H,1-3H3,(H2,17,19)
InChIKeyYUSIOADKIHGYLD-UHFFFAOYSA-N
XLogP3.40
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.40
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide (CID 56681981) is N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(Oc2cccc(C(C)C)c2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The InChIKey is YUSIOADKIHGYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)12-5-4-6-13(9-12)21-16-14(15(17)19-20)8-7-11(3)18-16/h4-10,20H,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 3.40, 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-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56681981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).