N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide

C15H17N3O2 — CID 61176184

IUPACN'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
SMILESCc1cccc(Oc2nc(C)cc(C)c2C(N)=NO)c1
InChIInChI=1S/C15H17N3O2/c1-9-5-4-6-12(7-9)20-15-13(14(16)18-19)10(2)8-11(3)17-15/h4-8,19H,1-3H3,(H2,16,18)
InChIKeyNMJCXQSXHHCLBY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.89
Rot. Bonds3

About N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide

N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide (PubChem CID 61176184) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
PubChem CID61176184
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
SMILESCc1cccc(Oc2nc(C)cc(C)c2C(N)=NO)c1
InChIInChI=1S/C15H17N3O2/c1-9-5-4-6-12(7-9)20-15-13(14(16)18-19)10(2)8-11(3)17-15/h4-8,19H,1-3H3,(H2,16,18)
InChIKeyNMJCXQSXHHCLBY-UHFFFAOYSA-N
XLogP2.89
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.89
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'}

Analyze N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
CID 54934539
4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054592
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924866

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide (CID 61176184) is N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide is Cc1cccc(Oc2nc(C)cc(C)c2C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The InChIKey is NMJCXQSXHHCLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-4-6-12(7-9)20-15-13(14(16)18-19)10(2)8-11(3)17-15/h4-8,19H,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 61176184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).