2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C22H18N4O4 — CID 10668794

IUPAC2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1)N/N=C/c1cccnc1
InChIInChI=1S/C22H18N4O4/c27-22(25-24-15-18-4-3-13-23-14-18)16-30-21-6-2-1-5-19(21)10-7-17-8-11-20(12-9-17)26(28)29/h1-15H,16H2,(H,25,27)/b10-7+,24-15+
InChIKeyGDTFPZGYIRNIDF-XPIRNMDISA-N
MW402.41 g/mol
LogP3.69
Rot. Bonds8

About 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 10668794) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID10668794
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1)N/N=C/c1cccnc1
InChIInChI=1S/C22H18N4O4/c27-22(25-24-15-18-4-3-13-23-14-18)16-30-21-6-2-1-5-19(21)10-7-17-8-11-20(12-9-17)26(28)29/h1-15H,16H2,(H,25,27)/b10-7+,24-15+
InChIKeyGDTFPZGYIRNIDF-XPIRNMDISA-N
XLogP3.69
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19190191
2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 19165090
2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 935509
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4633369
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium
CID 173185304
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 10668794) is 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is O=C(COc1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1)N/N=C/c1cccnc1.
What is the InChIKey of 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is GDTFPZGYIRNIDF-XPIRNMDISA-N. The full InChI is InChI=1S/C22H18N4O4/c27-22(25-24-15-18-4-3-13-23-14-18)16-30-21-6-2-1-5-19(21)10-7-17-8-11-20(12-9-17)26(28)29/h1-15H,16H2,(H,25,27)/b10-7+,24-15+.
What are the key properties of 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 402.41 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 10668794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).