(2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

C19H20FN3O2 — CID 164642813

IUPAC(2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1
InChIInChI=1S/C19H20FN3O2/c1-22(12-14-6-3-4-8-16(14)20)19(25)15-10-17(24)23(2)18(15)13-7-5-9-21-11-13/h3-9,11,15,18H,10,12H2,1-2H3/t15-,18+/m0/s1
InChIKeyVQSSFAXMMZITHH-MAUKXSAKSA-N
MW341.39 g/mol
LogP2.40
Rot. Bonds4

About (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

(2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 164642813) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID164642813
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1
InChIInChI=1S/C19H20FN3O2/c1-22(12-14-6-3-4-8-16(14)20)19(25)15-10-17(24)23(2)18(15)13-7-5-9-21-11-13/h3-9,11,15,18H,10,12H2,1-2H3/t15-,18+/m0/s1
InChIKeyVQSSFAXMMZITHH-MAUKXSAKSA-N
XLogP2.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 164642813) is (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is CN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is VQSSFAXMMZITHH-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-22(12-14-6-3-4-8-16(14)20)19(25)15-10-17(24)23(2)18(15)13-7-5-9-21-11-13/h3-9,11,15,18H,10,12H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
(2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164642813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).