2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide

C20H16N4O3 — CID 4522420

IUPAC2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16N4O3/c25-19(14-15-9-11-17(12-10-15)24(26)27)22-23-20(16-6-2-1-3-7-16)18-8-4-5-13-21-18/h1-13H,14H2,(H,22,25)
InChIKeyIFAHFNMURCKXCR-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide

2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide (PubChem CID 4522420) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
PubChem CID4522420
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16N4O3/c25-19(14-15-9-11-17(12-10-15)24(26)27)22-23-20(16-6-2-1-3-7-16)18-8-4-5-13-21-18/h1-13H,14H2,(H,22,25)
InChIKeyIFAHFNMURCKXCR-UHFFFAOYSA-N
XLogP3.10
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6035374
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide
CID 4749358
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3256701
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide (CID 4522420) is 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The InChIKey is IFAHFNMURCKXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-19(14-15-9-11-17(12-10-15)24(26)27)22-23-20(16-6-2-1-3-7-16)18-8-4-5-13-21-18/h1-13H,14H2,(H,22,25).
What are the key properties of 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide has a molecular weight of 360.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide is sourced from PubChem (CID 4522420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).