2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide

C21H16N4O2 — CID 2404738

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccncc3)cc2)cc1
InChIInChI=1S/C21H16N4O2/c22-13-16-1-3-18(4-2-16)19-5-7-20(8-6-19)27-15-21(26)25-24-14-17-9-11-23-12-10-17/h1-12,14H,15H2,(H,25,26)
InChIKeyRKRCZQHKWRDOJI-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.15
Rot. Bonds6

About 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide (PubChem CID 2404738) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide
PubChem CID2404738
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccncc3)cc2)cc1
InChIInChI=1S/C21H16N4O2/c22-13-16-1-3-18(4-2-16)19-5-7-20(8-6-19)27-15-21(26)25-24-14-17-9-11-23-12-10-17/h1-12,14H,15H2,(H,25,26)
InChIKeyRKRCZQHKWRDOJI-UHFFFAOYSA-N
XLogP3.15
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Propanamide, N-((1S,2S)-2-(3-cyanophenyl)-3-(4-(2-(fluoro-18f)ethoxy)phenyl)-1-methylpropyl)-2-methyl-2-((5-methyl-2-pyridinyl)oxy)-
CID 11213961
MK-9470
CID 11488705
7-tert-butyl-N'-[(Z)-pyridin-4-ylmethylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 5912764
2-{[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy}-N'-(4-methylbenzylidene)acetohydrazide
CID 6877345
3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 6882354
N-[1-Pyridin-3-yl-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 6882598
2-(4-methylphenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6895235
2-(4-methoxyphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 6898614
2-(2-phenylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 9556721
2-(3,4-dimethylphenoxy)-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9557728
N-Phenyl-2-{4-[(pyridine-4-carbonyl)-hydrazonomethyl]-phenoxy}-acetamide
CID 9564310
2-(2-phenylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 9612783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide (CID 2404738) is 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide is N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3ccncc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide?
The InChIKey is RKRCZQHKWRDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-13-16-1-3-18(4-2-16)19-5-7-20(8-6-19)27-15-21(26)25-24-14-17-9-11-23-12-10-17/h1-12,14H,15H2,(H,25,26).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide is sourced from PubChem (CID 2404738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).