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

C16H13F2N3O3 — CID 124615577

IUPACN-[(3R)-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-/m1/s1
InChIKeySTDWKGHKJSVFKS-SNVBAGLBSA-N
MW333.29 g/mol
LogP1.19
Rot. Bonds3

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

N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 124615577) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID124615577
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC NameN-[(3R)-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-/m1/s1
InChIKeySTDWKGHKJSVFKS-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide (CID 124615577) is N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-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-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is STDWKGHKJSVFKS-SNVBAGLBSA-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-/m1/s1.
What are the key properties of N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(3R)-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-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 124615577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).