(2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate

C20H15NO3 — CID 3254218

IUPAC(2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H15NO3/c22-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)24-20(23)17-13-7-8-14-21-17/h1-14,19H
InChIKeyWDMMKUCIHVPQRN-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.86
Rot. Bonds5

About (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate

(2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate (PubChem CID 3254218) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate
PubChem CID3254218
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name(2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H15NO3/c22-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)24-20(23)17-13-7-8-14-21-17/h1-14,19H
InChIKeyWDMMKUCIHVPQRN-UHFFFAOYSA-N
XLogP3.86
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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2-(Naphthalen-1-ylamino)-2-oxoethyl pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate (CID 3254218) is (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate is O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate?
The InChIKey is WDMMKUCIHVPQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)24-20(23)17-13-7-8-14-21-17/h1-14,19H.
What are the key properties of (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate?
(2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) pyridine-2-carboxylate is sourced from PubChem (CID 3254218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).