2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide

C15H15N3O2 — CID 5342149

IUPAC2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C(\C)c1cccnc1
InChIInChI=1S/C15H15N3O2/c1-11(12-6-5-9-16-10-12)17-18-15(19)13-7-3-4-8-14(13)20-2/h3-10H,1-2H3,(H,18,19)/b17-11+
InChIKeyZPZLHDOVXFUQAT-GZTJUZNOSA-N
MW269.30 g/mol
LogP2.24
Rot. Bonds4

About 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide

2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide (PubChem CID 5342149) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide
PubChem CID5342149
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C(\C)c1cccnc1
InChIInChI=1S/C15H15N3O2/c1-11(12-6-5-9-16-10-12)17-18-15(19)13-7-3-4-8-14(13)20-2/h3-10H,1-2H3,(H,18,19)/b17-11+
InChIKeyZPZLHDOVXFUQAT-GZTJUZNOSA-N
XLogP2.24
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.24
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 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide (CID 5342149) is 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide is COc1ccccc1C(=O)N/N=C(\C)c1cccnc1.
What is the InChIKey of 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
The InChIKey is ZPZLHDOVXFUQAT-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(12-6-5-9-16-10-12)17-18-15(19)13-7-3-4-8-14(13)20-2/h3-10H,1-2H3,(H,18,19)/b17-11+.
What are the key properties of 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide has a molecular weight of 269.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide is sourced from PubChem (CID 5342149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).