2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide

C21H20FN3O3 — CID 113021300

IUPAC2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(F)c3)nc2)cc1OC
InChIInChI=1S/C21H20FN3O3/c1-27-18-8-6-14(10-19(18)28-2)11-21(26)25-17-7-9-20(23-13-17)24-16-5-3-4-15(22)12-16/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUHAYPYWQWVFVMI-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.16
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide (PubChem CID 113021300) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
PubChem CID113021300
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(F)c3)nc2)cc1OC
InChIInChI=1S/C21H20FN3O3/c1-27-18-8-6-14(10-19(18)28-2)11-21(26)25-17-7-9-20(23-13-17)24-16-5-3-4-15(22)12-16/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUHAYPYWQWVFVMI-UHFFFAOYSA-N
XLogP4.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]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-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113019115
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113036450
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide (CID 113021300) is 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3cccc(F)c3)nc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide?
The InChIKey is UHAYPYWQWVFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-18-8-6-14(10-19(18)28-2)11-21(26)25-17-7-9-20(23-13-17)24-16-5-3-4-15(22)12-16/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113021300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).