N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide

C16H15FN4O2 — CID 96526243

IUPACN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1
InChIInChI=1S/C16H15FN4O2/c1-10-8-19-13(9-18-10)15(22)20-12-6-7-21(16(12)23)14-5-3-2-4-11(14)17/h2-5,8-9,12H,6-7H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyDYUPOLQUJQBBFC-LBPRGKRZSA-N
MW314.32 g/mol
LogP1.46
Rot. Bonds3

About N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide

N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 96526243) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID96526243
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1
InChIInChI=1S/C16H15FN4O2/c1-10-8-19-13(9-18-10)15(22)20-12-6-7-21(16(12)23)14-5-3-2-4-11(14)17/h2-5,8-9,12H,6-7H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyDYUPOLQUJQBBFC-LBPRGKRZSA-N
XLogP1.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide (CID 96526243) is N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1.
What is the InChIKey of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is DYUPOLQUJQBBFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-10-8-19-13(9-18-10)15(22)20-12-6-7-21(16(12)23)14-5-3-2-4-11(14)17/h2-5,8-9,12H,6-7H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 96526243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).