methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate

C19H19FN2O5 — CID 90620088

IUPACmethyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O
InChIInChI=1S/C19H19FN2O5/c1-21-9-5-6-13(17(21)23)18(24)22-11-12(10-15(22)19(25)26-2)27-16-8-4-3-7-14(16)20/h3-9,12,15H,10-11H2,1-2H3
InChIKeyMSYVTVAXYXURHA-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.36
Rot. Bonds4

About methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate

methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 90620088) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID90620088
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Namemethyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O
InChIInChI=1S/C19H19FN2O5/c1-21-9-5-6-13(17(21)23)18(24)22-11-12(10-15(22)19(25)26-2)27-16-8-4-3-7-14(16)20/h3-9,12,15H,10-11H2,1-2H3
InChIKeyMSYVTVAXYXURHA-UHFFFAOYSA-N
XLogP1.36
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 90620088) is methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1cccn(C)c1=O.
What is the InChIKey of methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is MSYVTVAXYXURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-21-9-5-6-13(17(21)23)18(24)22-11-12(10-15(22)19(25)26-2)27-16-8-4-3-7-14(16)20/h3-9,12,15H,10-11H2,1-2H3.
What are the key properties of methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 374.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluorophenoxy)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 90620088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).