N-[(E)-pyridin-2-ylmethylideneamino]benzamide

C13H11N3O — CID 5333835

IUPACN-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11N3O/c17-13(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-14-12/h1-10H,(H,16,17)/b15-10+
InChIKeyFEHWEDNVSQUYNH-XNTDXEJSSA-N
MW225.25 g/mol
LogP1.85
Rot. Bonds3

About N-[(E)-pyridin-2-ylmethylideneamino]benzamide

N-[(E)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 5333835) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(E)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID5333835
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11N3O/c17-13(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-14-12/h1-10H,(H,16,17)/b15-10+
InChIKeyFEHWEDNVSQUYNH-XNTDXEJSSA-N
XLogP1.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.85
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 N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]benzamide (CID 5333835) is N-[(E)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for N-[(E)-pyridin-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccccn1)c1ccccc1.
What is the InChIKey of N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is FEHWEDNVSQUYNH-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13(11-6-2-1-3-7-11)16-15-10-12-8-4-5-9-14-12/h1-10H,(H,16,17)/b15-10+.
What are the key properties of N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
N-[(E)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 225.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5333835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).