2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide

C21H20N4O3 — CID 73226720

IUPAC2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESCOc1ccc(Oc2cccc(NCC(=O)NN=Cc3ccncc3)c2)cc1
InChIInChI=1S/C21H20N4O3/c1-27-18-5-7-19(8-6-18)28-20-4-2-3-17(13-20)23-15-21(26)25-24-14-16-9-11-22-12-10-16/h2-14,23H,15H2,1H3,(H,25,26)
InChIKeyWBCDNYKVIHDVTM-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.44
Rot. Bonds8

About 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide

2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide (PubChem CID 73226720) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide
PubChem CID73226720
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESCOc1ccc(Oc2cccc(NCC(=O)NN=Cc3ccncc3)c2)cc1
InChIInChI=1S/C21H20N4O3/c1-27-18-5-7-19(8-6-18)28-20-4-2-3-17(13-20)23-15-21(26)25-24-14-16-9-11-22-12-10-16/h2-14,23H,15H2,1H3,(H,25,26)
InChIKeyWBCDNYKVIHDVTM-UHFFFAOYSA-N
XLogP3.44
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)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

2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555
2-(3-nitroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 58897637
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6092833
2-[4-[(Z)-[[2-(4-methoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 7933088
2-(4-methoxyanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5427968
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide
CID 135725870
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide (CID 73226720) is 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide is COc1ccc(Oc2cccc(NCC(=O)NN=Cc3ccncc3)c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide?
The InChIKey is WBCDNYKVIHDVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-18-5-7-19(8-6-18)28-20-4-2-3-17(13-20)23-15-21(26)25-24-14-16-9-11-22-12-10-16/h2-14,23H,15H2,1H3,(H,25,26).
What are the key properties of 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide?
2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide is sourced from PubChem (CID 73226720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).