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

C15H16N4O — CID 6896850

IUPAC4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2ccccn2)cc1
InChIInChI=1S/C15H16N4O/c1-19(2)14-8-6-12(7-9-14)15(20)18-17-11-13-5-3-4-10-16-13/h3-11H,1-2H3,(H,18,20)/b17-11+
InChIKeyPCBFIUXFHFMWGB-GZTJUZNOSA-N
MW268.32 g/mol
LogP1.91
Rot. Bonds4

About 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 6896850) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID6896850
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2ccccn2)cc1
InChIInChI=1S/C15H16N4O/c1-19(2)14-8-6-12(7-9-14)15(20)18-17-11-13-5-3-4-10-16-13/h3-11H,1-2H3,(H,18,20)/b17-11+
InChIKeyPCBFIUXFHFMWGB-GZTJUZNOSA-N
XLogP1.91
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (CID 6896850) is 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is CN(C)c1ccc(C(=O)N/N=C/c2ccccn2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is PCBFIUXFHFMWGB-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(2)14-8-6-12(7-9-14)15(20)18-17-11-13-5-3-4-10-16-13/h3-11H,1-2H3,(H,18,20)/b17-11+.
What are the key properties of 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 268.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6896850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).