N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide

C21H20ClN3O3 — CID 113018928

IUPACN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nc1
InChIInChI=1S/C21H20ClN3O3/c1-14-7-8-15(11-17(14)22)24-20-10-9-16(12-23-20)25-21(26)13-28-19-6-4-3-5-18(19)27-2/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyCQDFEFTUYUKFMD-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.81
Rot. Bonds7

About N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113018928) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113018928
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nc1
InChIInChI=1S/C21H20ClN3O3/c1-14-7-8-15(11-17(14)22)24-20-10-9-16(12-23-20)25-21(26)13-28-19-6-4-3-5-18(19)27-2/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyCQDFEFTUYUKFMD-UHFFFAOYSA-N
XLogP4.81
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide 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

N-[6-(3,5-dimethylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113017092
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048
2-(2-methoxyphenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031340
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113019106
N-(4-amino-3,5-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 51193233
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
2-(2-methoxyphenoxy)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009626
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2637238
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide (CID 113018928) is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nc1.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CQDFEFTUYUKFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-7-8-15(11-17(14)22)24-20-10-9-16(12-23-20)25-21(26)13-28-19-6-4-3-5-18(19)27-2/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113018928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).