2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide

C18H19FN4O2 — CID 96526140

IUPAC2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H19FN4O2/c1-22(2)16-12(6-5-10-20-16)17(24)21-14-9-11-23(18(14)25)15-8-4-3-7-13(15)19/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyDEBGMGMSVGUXBU-CQSZACIVSA-N
MW342.37 g/mol
LogP1.82
Rot. Bonds4

About 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide

2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 96526140) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID96526140
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H19FN4O2/c1-22(2)16-12(6-5-10-20-16)17(24)21-14-9-11-23(18(14)25)15-8-4-3-7-13(15)19/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyDEBGMGMSVGUXBU-CQSZACIVSA-N
XLogP1.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 96526140) is 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is DEBGMGMSVGUXBU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-22(2)16-12(6-5-10-20-16)17(24)21-14-9-11-23(18(14)25)15-8-4-3-7-13(15)19/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 96526140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).