3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide

C13H12ClN3O3 — CID 103566441

IUPAC3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide
SMILESCOc1cc(Oc2nc(Cl)ccc2N)cc(C(N)=O)c1
InChIInChI=1S/C13H12ClN3O3/c1-19-8-4-7(12(16)18)5-9(6-8)20-13-10(15)2-3-11(14)17-13/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyWJFOAJJTYNEHJE-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.22
Rot. Bonds4

About 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide

3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide (PubChem CID 103566441) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide.

Molecular Properties

Compound Name3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide
PubChem CID103566441
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide
SMILESCOc1cc(Oc2nc(Cl)ccc2N)cc(C(N)=O)c1
InChIInChI=1S/C13H12ClN3O3/c1-19-8-4-7(12(16)18)5-9(6-8)20-13-10(15)2-3-11(14)17-13/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyWJFOAJJTYNEHJE-UHFFFAOYSA-N
XLogP2.22
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide 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

3-[(3-amino-6-methoxy-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566452
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 115474547
3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566450
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568121
3-(2-amino-3-chlorophenoxy)-5-methoxybenzamide
CID 103566422
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
CID 114409213
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103568126
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568127
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide?
The IUPAC name of 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide (CID 103566441) is 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide.
What is the SMILES notation for 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide?
The canonical SMILES for 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide is COc1cc(Oc2nc(Cl)ccc2N)cc(C(N)=O)c1.
What is the InChIKey of 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide?
The InChIKey is WJFOAJJTYNEHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-19-8-4-7(12(16)18)5-9(6-8)20-13-10(15)2-3-11(14)17-13/h2-6H,15H2,1H3,(H2,16,18).
What are the key properties of 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide?
3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide has a molecular weight of 293.71 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide is sourced from PubChem (CID 103566441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).