[4-(pyridin-3-ylcarbamoyl)phenyl] acetate

C14H12N2O3 — CID 578528

IUPAC[4-(pyridin-3-ylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H12N2O3/c1-10(17)19-13-6-4-11(5-7-13)14(18)16-12-3-2-8-15-9-12/h2-9H,1H3,(H,16,18)
InChIKeyIKTNULKGYPBHNL-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.26
Rot. Bonds3

About [4-(pyridin-3-ylcarbamoyl)phenyl] acetate

[4-(pyridin-3-ylcarbamoyl)phenyl] acetate (PubChem CID 578528) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is [4-(pyridin-3-ylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(pyridin-3-ylcarbamoyl)phenyl] acetate
PubChem CID578528
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name[4-(pyridin-3-ylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H12N2O3/c1-10(17)19-13-6-4-11(5-7-13)14(18)16-12-3-2-8-15-9-12/h2-9H,1H3,(H,16,18)
InChIKeyIKTNULKGYPBHNL-UHFFFAOYSA-N
XLogP2.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylcarbamoyl)phenyl] acetate?
The IUPAC name of [4-(pyridin-3-ylcarbamoyl)phenyl] acetate (CID 578528) is [4-(pyridin-3-ylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [4-(pyridin-3-ylcarbamoyl)phenyl] acetate?
The canonical SMILES for [4-(pyridin-3-ylcarbamoyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of [4-(pyridin-3-ylcarbamoyl)phenyl] acetate?
The InChIKey is IKTNULKGYPBHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10(17)19-13-6-4-11(5-7-13)14(18)16-12-3-2-8-15-9-12/h2-9H,1H3,(H,16,18).
What are the key properties of [4-(pyridin-3-ylcarbamoyl)phenyl] acetate?
[4-(pyridin-3-ylcarbamoyl)phenyl] acetate has a molecular weight of 256.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 578528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).