ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate

C19H20FN3O4 — CID 69114943

IUPACethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C19H20FN3O4/c1-2-27-19(26)14-11-21-10-13(14)18(25)22-16-7-6-12(9-15(16)20)23-8-4-3-5-17(23)24/h3-9,13-14,21H,2,10-11H2,1H3,(H,22,25)
InChIKeyVNFRKRWFXDMOQX-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.31
Rot. Bonds5

About ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate

ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate (PubChem CID 69114943) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
PubChem CID69114943
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Nameethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C19H20FN3O4/c1-2-27-19(26)14-11-21-10-13(14)18(25)22-16-7-6-12(9-15(16)20)23-8-4-3-5-17(23)24/h3-9,13-14,21H,2,10-11H2,1H3,(H,22,25)
InChIKeyVNFRKRWFXDMOQX-UHFFFAOYSA-N
XLogP1.31
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate (CID 69114943) is ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate is CCOC(=O)C1CNCC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate?
The InChIKey is VNFRKRWFXDMOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-2-27-19(26)14-11-21-10-13(14)18(25)22-16-7-6-12(9-15(16)20)23-8-4-3-5-17(23)24/h3-9,13-14,21H,2,10-11H2,1H3,(H,22,25).
What are the key properties of ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate?
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate has a molecular weight of 373.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 69114943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).