(4-acetamidophenyl) pyridine-3-carboxylate

C14H12N2O3 — CID 3237989

IUPAC(4-acetamidophenyl) pyridine-3-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H12N2O3/c1-10(17)16-12-4-6-13(7-5-12)19-14(18)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17)
InChIKeyQOHDTSVYCIETJO-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.26
Rot. Bonds3

About (4-acetamidophenyl) pyridine-3-carboxylate

(4-acetamidophenyl) pyridine-3-carboxylate (PubChem CID 3237989) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (4-acetamidophenyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) pyridine-3-carboxylate
PubChem CID3237989
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(4-acetamidophenyl) pyridine-3-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H12N2O3/c1-10(17)16-12-4-6-13(7-5-12)19-14(18)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17)
InChIKeyQOHDTSVYCIETJO-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-acetamidophenyl) pyridine-3-carboxylate?
The IUPAC name of (4-acetamidophenyl) pyridine-3-carboxylate (CID 3237989) is (4-acetamidophenyl) pyridine-3-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) pyridine-3-carboxylate?
The canonical SMILES for (4-acetamidophenyl) pyridine-3-carboxylate is CC(=O)Nc1ccc(OC(=O)c2cccnc2)cc1.
What is the InChIKey of (4-acetamidophenyl) pyridine-3-carboxylate?
The InChIKey is QOHDTSVYCIETJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10(17)16-12-4-6-13(7-5-12)19-14(18)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17).
What are the key properties of (4-acetamidophenyl) pyridine-3-carboxylate?
(4-acetamidophenyl) pyridine-3-carboxylate 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-acetamidophenyl) pyridine-3-carboxylate is sourced from PubChem (CID 3237989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).