[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate

C₁₅H₁₄N₂O₃ — CID 102173247

About [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate

[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate (PubChem CID 102173247) has the molecular formula C₁₅H₁₄N₂O₃ and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate.

Molecular Properties

• Compound Name: [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
• PubChem CID: 102173247
• Molecular Formula: C₁₅H₁₄N₂O₃
• Molecular Weight: 270.29 g/mol
• Exact Mass: 270.10
• IUPAC Name: [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
• SMILES: CC(=O)Oc1ccccc1CNC(=O)c1ccccn1
• InChI: InChI=1S/C15H14N2O3/c1-11(18)20-14-8-3-2-6-12(14)10-17-15(19)13-7-4-5-9-16-13/h2-9H,10H2,1H3,(H,17,19)
• InChIKey: FCVKWUHFQPACIR-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.29
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?

The IUPAC name of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate (CID 102173247) is [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate.

What is the SMILES notation for [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?

The canonical SMILES for [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate is CC(=O)Oc1ccccc1CNC(=O)c1ccccn1.

What is the InChIKey of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?

The InChIKey is FCVKWUHFQPACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11(18)20-14-8-3-2-6-12(14)10-17-15(19)13-7-4-5-9-16-13/h2-9H,10H2,1H3,(H,17,19).

What are the key properties of [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate?

[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate has a molecular weight of 270.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate is sourced from PubChem (CID 102173247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102173247 — identifiers, structure, computed properties (public domain)

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