4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C21H20N4O — CID 6524785

IUPAC4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H20N4O/c1-25(2)18-13-11-17(12-14-18)21(26)24-23-20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15H,1-2H3,(H,24,26)/b23-20+
InChIKeyZPDXTWGWVLTJGL-BSYVCWPDSA-N
MW344.42 g/mol
LogP3.33
Rot. Bonds5

About 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide

4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 6524785) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID6524785
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H20N4O/c1-25(2)18-13-11-17(12-14-18)21(26)24-23-20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15H,1-2H3,(H,24,26)/b23-20+
InChIKeyZPDXTWGWVLTJGL-BSYVCWPDSA-N
XLogP3.33
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
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

4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
CID 11285903
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302
3-(diethylsulfamoyl)-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6064728
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283
2-hydroxy-2-phenyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 5220339

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 6524785) is 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide is CN(C)c1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is ZPDXTWGWVLTJGL-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25(2)18-13-11-17(12-14-18)21(26)24-23-20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15H,1-2H3,(H,24,26)/b23-20+.
What are the key properties of 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 344.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 6524785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).