2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide

C14H14FN3O — CID 107169461

IUPAC2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C14H14FN3O/c1-8-3-4-10(7-11(8)15)19-14-12(13(16)17)9(2)5-6-18-14/h3-7H,1-2H3,(H3,16,17)
InChIKeyKYXIHKNKDJXYAP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.91
Rot. Bonds3

About 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide

2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide (PubChem CID 107169461) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide
PubChem CID107169461
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C14H14FN3O/c1-8-3-4-10(7-11(8)15)19-14-12(13(16)17)9(2)5-6-18-14/h3-7H,1-2H3,(H3,16,17)
InChIKeyKYXIHKNKDJXYAP-UHFFFAOYSA-N
XLogP2.91
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-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

4-methyl-2-quinolin-7-yloxypyridine-3-carboximidamide
CID 107313822
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
4-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboximidamide
CID 116801560
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 107168534
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide (CID 107169461) is 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)ccnc1Oc1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide?
The InChIKey is KYXIHKNKDJXYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-3-4-10(7-11(8)15)19-14-12(13(16)17)9(2)5-6-18-14/h3-7H,1-2H3,(H3,16,17).
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide?
2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide has a molecular weight of 259.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 107169461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).