(2-anilino-2-oxoethyl) pyridine-4-carboxylate

C14H12N2O3 — CID 2087530

IUPAC(2-anilino-2-oxoethyl) pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)Nc1ccccc1
InChIInChI=1S/C14H12N2O3/c17-13(16-12-4-2-1-3-5-12)10-19-14(18)11-6-8-15-9-7-11/h1-9H,10H2,(H,16,17)
InChIKeyVJJCNQVSKKJQLR-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.88
Rot. Bonds4

About (2-anilino-2-oxoethyl) pyridine-4-carboxylate

(2-anilino-2-oxoethyl) pyridine-4-carboxylate (PubChem CID 2087530) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) pyridine-4-carboxylate
PubChem CID2087530
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(2-anilino-2-oxoethyl) pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)Nc1ccccc1
InChIInChI=1S/C14H12N2O3/c17-13(16-12-4-2-1-3-5-12)10-19-14(18)11-6-8-15-9-7-11/h1-9H,10H2,(H,16,17)
InChIKeyVJJCNQVSKKJQLR-UHFFFAOYSA-N
XLogP1.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) pyridine-4-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) pyridine-4-carboxylate (CID 2087530) is (2-anilino-2-oxoethyl) pyridine-4-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) pyridine-4-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) pyridine-4-carboxylate?
The InChIKey is VJJCNQVSKKJQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13(16-12-4-2-1-3-5-12)10-19-14(18)11-6-8-15-9-7-11/h1-9H,10H2,(H,16,17).
What are the key properties of (2-anilino-2-oxoethyl) pyridine-4-carboxylate?
(2-anilino-2-oxoethyl) pyridine-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) pyridine-4-carboxylate is sourced from PubChem (CID 2087530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).