5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid

C17H13F2N3O4 — CID 119159997

IUPAC5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C17H13F2N3O4/c18-10-2-1-3-11(19)14(10)22-7-6-12(16(22)24)21-15(23)9-4-5-13(17(25)26)20-8-9/h1-5,8,12H,6-7H2,(H,21,23)(H,25,26)
InChIKeyYXQLWTQJRVHWSN-UHFFFAOYSA-N
MW361.30 g/mol
LogP1.59
Rot. Bonds4

About 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid

5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119159997) has the molecular formula C17H13F2N3O4 and a molecular weight of 361.30 g/mol. Its IUPAC name is 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119159997
Molecular FormulaC17H13F2N3O4
Molecular Weight361.30 g/mol
Exact Mass361.09
IUPAC Name5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C17H13F2N3O4/c18-10-2-1-3-11(19)14(10)22-7-6-12(16(22)24)21-15(23)9-4-5-13(17(25)26)20-8-9/h1-5,8,12H,6-7H2,(H,21,23)(H,25,26)
InChIKeyYXQLWTQJRVHWSN-UHFFFAOYSA-N
XLogP1.59
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid (CID 119159997) is 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid is O=C(NC1CCN(c2c(F)cccc2F)C1=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YXQLWTQJRVHWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4/c18-10-2-1-3-11(19)14(10)22-7-6-12(16(22)24)21-15(23)9-4-5-13(17(25)26)20-8-9/h1-5,8,12H,6-7H2,(H,21,23)(H,25,26).
What are the key properties of 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid?
5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 361.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119159997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).