1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone

C14H14N2O2 — CID 18673901

IUPAC1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(N)cn2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-7-12(4-5-13(9)10(2)17)18-14-6-3-11(15)8-16-14/h3-8H,15H2,1-2H3
InChIKeyFWUCQISTAXTRAJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.97
Rot. Bonds3

About 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone

1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone (PubChem CID 18673901) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
PubChem CID18673901
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(N)cn2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-7-12(4-5-13(9)10(2)17)18-14-6-3-11(15)8-16-14/h3-8H,15H2,1-2H3
InChIKeyFWUCQISTAXTRAJ-UHFFFAOYSA-N
XLogP2.97
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

Analyze 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone 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

1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
1-[6-(5-amino-2-methylphenoxy)-3-pyridinyl]ethanone
CID 134828568
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine
CID 162628374
[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 50742570
5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
CID 114090810
2-(3,4-dimethylphenoxy)-5-methylpyridine
CID 123670346
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone (CID 18673901) is 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone is CC(=O)c1ccc(Oc2ccc(N)cn2)cc1C.
What is the InChIKey of 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone?
The InChIKey is FWUCQISTAXTRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-12(4-5-13(9)10(2)17)18-14-6-3-11(15)8-16-14/h3-8H,15H2,1-2H3.
What are the key properties of 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone?
1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone has a molecular weight of 242.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone is sourced from PubChem (CID 18673901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).