2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide

C21H19N3O — CID 6949302

IUPAC2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C21H19N3O/c1-16(19-14-8-9-15-22-19)23-24-21(25)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3,(H,24,25)/b23-16+
InChIKeyUBQWKZBWKZJBQL-XQNSMLJCSA-N
MW329.40 g/mol
LogP3.75
Rot. Bonds5

About 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide

2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide (PubChem CID 6949302) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide
PubChem CID6949302
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C21H19N3O/c1-16(19-14-8-9-15-22-19)23-24-21(25)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3,(H,24,25)/b23-16+
InChIKeyUBQWKZBWKZJBQL-XQNSMLJCSA-N
XLogP3.75
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
The IUPAC name of 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide (CID 6949302) is 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide is C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
The InChIKey is UBQWKZBWKZJBQL-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H19N3O/c1-16(19-14-8-9-15-22-19)23-24-21(25)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3,(H,24,25)/b23-16+.
What are the key properties of 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide?
2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide has a molecular weight of 329.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(E)-1-pyridin-2-ylethylideneamino]acetamide is sourced from PubChem (CID 6949302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).