2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

C24H22N4O2 — CID 136501552

IUPAC2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESCc1cc(-c2cccnc2)cc(C)c1OCC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O2/c1-16-10-19(18-6-5-9-25-12-18)11-17(2)24(16)30-15-23(29)28-27-14-20-13-26-22-8-4-3-7-21(20)22/h3-14,26H,15H2,1-2H3,(H,28,29)/b27-14+
InChIKeyKSLSPLAEQVEXEU-MZJWZYIUSA-N
MW398.47 g/mol
LogP4.38
Rot. Bonds6

About 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (PubChem CID 136501552) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
PubChem CID136501552
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESCc1cc(-c2cccnc2)cc(C)c1OCC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O2/c1-16-10-19(18-6-5-9-25-12-18)11-17(2)24(16)30-15-23(29)28-27-14-20-13-26-22-8-4-3-7-21(20)22/h3-14,26H,15H2,1-2H3,(H,28,29)/b27-14+
InChIKeyKSLSPLAEQVEXEU-MZJWZYIUSA-N
XLogP4.38
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
CID 136700927
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
N-(1H-indol-3-ylmethylideneamino)-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 3296388
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (CID 136501552) is 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is Cc1cc(-c2cccnc2)cc(C)c1OCC(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The InChIKey is KSLSPLAEQVEXEU-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-10-19(18-6-5-9-25-12-18)11-17(2)24(16)30-15-23(29)28-27-14-20-13-26-22-8-4-3-7-21(20)22/h3-14,26H,15H2,1-2H3,(H,28,29)/b27-14+.
What are the key properties of 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide has a molecular weight of 398.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 136501552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).