[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate

C16H16N2O3 — CID 3483038

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NCCc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-15(18-11-6-13-4-2-1-3-5-13)12-21-16(20)14-7-9-17-10-8-14/h1-5,7-10H,6,11-12H2,(H,18,19)
InChIKeyNMWPEIRFGLGYNG-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.60
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate (PubChem CID 3483038) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
PubChem CID3483038
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NCCc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-15(18-11-6-13-4-2-1-3-5-13)12-21-16(20)14-7-9-17-10-8-14/h1-5,7-10H,6,11-12H2,(H,18,19)
InChIKeyNMWPEIRFGLGYNG-UHFFFAOYSA-N
XLogP1.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783610
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680578
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7373706
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate
CID 9064756
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylsulfonylbenzoate
CID 18080788
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 8860992
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 3453906
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate (CID 3483038) is [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate?
The InChIKey is NMWPEIRFGLGYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(18-11-6-13-4-2-1-3-5-13)12-21-16(20)14-7-9-17-10-8-14/h1-5,7-10H,6,11-12H2,(H,18,19).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate is sourced from PubChem (CID 3483038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).