2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide

C21H20ClN3O3 — CID 113019773

IUPAC2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O3/c1-14-3-9-19(27-2)18(11-14)25-20-10-6-16(12-23-20)24-21(26)13-28-17-7-4-15(22)5-8-17/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAGAXMVLGSORDGO-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.81
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide

2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide (PubChem CID 113019773) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
PubChem CID113019773
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O3/c1-14-3-9-19(27-2)18(11-14)25-20-10-6-16(12-23-20)24-21(26)13-28-17-7-4-15(22)5-8-17/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAGAXMVLGSORDGO-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

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Related Compounds

N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019614
2-(4-chlorophenoxy)-N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021877
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
N-[4-(2,5-dimethoxyanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112987885
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide (CID 113019773) is 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide is COc1ccc(C)cc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide?
The InChIKey is AGAXMVLGSORDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-3-9-19(27-2)18(11-14)25-20-10-6-16(12-23-20)24-21(26)13-28-17-7-4-15(22)5-8-17/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]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 2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113019773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).