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

C15H13FN2O4 — CID 2604380

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c16-11-5-3-10(4-6-11)8-18-13(19)9-22-15(21)12-2-1-7-17-14(12)20/h1-7H,8-9H2,(H,17,20)(H,18,19)
InChIKeyJHZXPDRTKWJGRA-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.99
Rot. Bonds5

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

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2604380) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2604380
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c16-11-5-3-10(4-6-11)8-18-13(19)9-22-15(21)12-2-1-7-17-14(12)20/h1-7H,8-9H2,(H,17,20)(H,18,19)
InChIKeyJHZXPDRTKWJGRA-UHFFFAOYSA-N
XLogP0.99
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2604380) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is JHZXPDRTKWJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-11-5-3-10(4-6-11)8-18-13(19)9-22-15(21)12-2-1-7-17-14(12)20/h1-7H,8-9H2,(H,17,20)(H,18,19).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 304.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2604380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).