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

C14H15N3O2 — CID 56664991

IUPACN'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
SMILESCc1cccc(Oc2nc(C)ccc2/C(N)=N/O)c1
InChIInChI=1S/C14H15N3O2/c1-9-4-3-5-11(8-9)19-14-12(13(15)17-18)7-6-10(2)16-14/h3-8,18H,1-2H3,(H2,15,17)
InChIKeySEOALUIQOVRVFU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.59
Rot. Bonds3

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

N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide (PubChem CID 56664991) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
PubChem CID56664991
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
SMILESCc1cccc(Oc2nc(C)ccc2/C(N)=N/O)c1
InChIInChI=1S/C14H15N3O2/c1-9-4-3-5-11(8-9)19-14-12(13(15)17-18)7-6-10(2)16-14/h3-8,18H,1-2H3,(H2,15,17)
InChIKeySEOALUIQOVRVFU-UHFFFAOYSA-N
XLogP2.59
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.59
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-methylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide (CID 56664991) is N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide is Cc1cccc(Oc2nc(C)ccc2/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The InChIKey is SEOALUIQOVRVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-4-3-5-11(8-9)19-14-12(13(15)17-18)7-6-10(2)16-14/h3-8,18H,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of 2.59, 3 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-methylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56664991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).