(2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate

C14H12N2O3 — CID 54252339

IUPAC(2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate
SMILESNC(=O)C(OC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H12N2O3/c15-13(17)12(10-4-2-1-3-5-10)19-14(18)11-6-8-16-9-7-11/h1-9,12H,(H2,15,17)
InChIKeyDLQILCITBVLIMS-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.47
Rot. Bonds4

About (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate

(2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate (PubChem CID 54252339) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate
PubChem CID54252339
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate
SMILESNC(=O)C(OC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H12N2O3/c15-13(17)12(10-4-2-1-3-5-10)19-14(18)11-6-8-16-9-7-11/h1-9,12H,(H2,15,17)
InChIKeyDLQILCITBVLIMS-UHFFFAOYSA-N
XLogP1.47
TPSA82.28 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate (CID 54252339) is (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate is NC(=O)C(OC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate?
The InChIKey is DLQILCITBVLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-13(17)12(10-4-2-1-3-5-10)19-14(18)11-6-8-16-9-7-11/h1-9,12H,(H2,15,17).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate?
(2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) pyridine-4-carboxylate is sourced from PubChem (CID 54252339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).