1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C16H13F2N3O3 — CID 154859529

IUPAC1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ncccc1O)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C16H13F2N3O3/c17-10-3-1-4-11(18)14(10)21-8-9(7-13(21)23)16(24)20-15-12(22)5-2-6-19-15/h1-6,9,22H,7-8H2,(H,19,20,24)
InChIKeyAYWWCDIYVSOLKE-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.06
Rot. Bonds3

About 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 154859529) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID154859529
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ncccc1O)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C16H13F2N3O3/c17-10-3-1-4-11(18)14(10)21-8-9(7-13(21)23)16(24)20-15-12(22)5-2-6-19-15/h1-6,9,22H,7-8H2,(H,19,20,24)
InChIKeyAYWWCDIYVSOLKE-UHFFFAOYSA-N
XLogP2.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113192285
1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 122158902
N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192355
1-(2,6-difluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113192245
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
methyl 1-(2-fluoro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694512
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088260
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
4-(azepane-1-carbonyl)-1-(2,6-difluorophenyl)pyrrolidin-2-one
CID 113192284
methyl 1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693531
(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 154859529) is 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ncccc1O)C1CC(=O)N(c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AYWWCDIYVSOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c17-10-3-1-4-11(18)14(10)21-8-9(7-13(21)23)16(24)20-15-12(22)5-2-6-19-15/h1-6,9,22H,7-8H2,(H,19,20,24).
What are the key properties of 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154859529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).