[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C16H15FN2O4 — CID 4879964

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c17-12-5-3-11(4-6-12)7-9-18-14(20)10-23-16(22)13-2-1-8-19-15(13)21/h1-6,8H,7,9-10H2,(H,18,20)(H,19,21)
InChIKeyPKLWZOAACODMLE-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.03
Rot. Bonds6

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 4879964) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID4879964
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c17-12-5-3-11(4-6-12)7-9-18-14(20)10-23-16(22)13-2-1-8-19-15(13)21/h1-6,8H,7,9-10H2,(H,18,20)(H,19,21)
InChIKeyPKLWZOAACODMLE-UHFFFAOYSA-N
XLogP1.03
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 4879964) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is PKLWZOAACODMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-12-5-3-11(4-6-12)7-9-18-14(20)10-23-16(22)13-2-1-8-19-15(13)21/h1-6,8H,7,9-10H2,(H,18,20)(H,19,21).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 4879964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).