N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide

C16H13F2N3O3 — CID 124615578

IUPACN-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C16H13F2N3O3/c17-11-2-1-3-12(18)15(11)21-8-10(7-14(21)23)20-16(24)9-4-5-19-13(22)6-9/h1-6,10H,7-8H2,(H,19,22)(H,20,24)/t10-/m0/s1
InChIKeySTDWKGHKJSVFKS-JTQLQIEISA-N
MW333.29 g/mol
LogP1.19
Rot. Bonds3

About N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide

N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 124615578) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID124615578
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC NameN-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc[nH]c(=O)c1
InChIInChI=1S/C16H13F2N3O3/c17-11-2-1-3-12(18)15(11)21-8-10(7-14(21)23)20-16(24)9-4-5-19-13(22)6-9/h1-6,10H,7-8H2,(H,19,22)(H,20,24)/t10-/m0/s1
InChIKeySTDWKGHKJSVFKS-JTQLQIEISA-N
XLogP1.19
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 124615577
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide
CID 166256591
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
N-[3-(3-fluorophenyl)cyclobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138044557
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide (CID 124615578) is N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide is O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is STDWKGHKJSVFKS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13F2N3O3/c17-11-2-1-3-12(18)15(11)21-8-10(7-14(21)23)20-16(24)9-4-5-19-13(22)6-9/h1-6,10H,7-8H2,(H,19,22)(H,20,24)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 333.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 124615578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).