ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C16H15FN2O4 — CID 46246069

IUPACethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccccc2F)c(=O)[nH]c1C
InChIInChI=1S/C16H15FN2O4/c1-3-23-16(22)10-8-11(14(20)18-9(10)2)15(21)19-13-7-5-4-6-12(13)17/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYZLMLALHVUZDHU-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.25
Rot. Bonds4

About ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 46246069) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID46246069
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Nameethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccccc2F)c(=O)[nH]c1C
InChIInChI=1S/C16H15FN2O4/c1-3-23-16(22)10-8-11(14(20)18-9(10)2)15(21)19-13-7-5-4-6-12(13)17/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYZLMLALHVUZDHU-UHFFFAOYSA-N
XLogP2.25
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 46246069) is ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)Nc2ccccc2F)c(=O)[nH]c1C.
What is the InChIKey of ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is YZLMLALHVUZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-3-23-16(22)10-8-11(14(20)18-9(10)2)15(21)19-13-7-5-4-6-12(13)17/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 46246069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).