N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide

C17H16FN3O2 — CID 97244437

IUPACN-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCN1C(=O)C[C@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2/c1-21-15(22)10-14(16(21)11-2-4-13(18)5-3-11)20-17(23)12-6-8-19-9-7-12/h2-9,14,16H,10H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyARBXGIDPMJKZHN-HOCLYGCPSA-N
MW313.33 g/mol
LogP1.92
Rot. Bonds3

About N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide

N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 97244437) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID97244437
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCN1C(=O)C[C@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2/c1-21-15(22)10-14(16(21)11-2-4-13(18)5-3-11)20-17(23)12-6-8-19-9-7-12/h2-9,14,16H,10H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyARBXGIDPMJKZHN-HOCLYGCPSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide (CID 97244437) is N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide is CN1C(=O)C[C@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is ARBXGIDPMJKZHN-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-21-15(22)10-14(16(21)11-2-4-13(18)5-3-11)20-17(23)12-6-8-19-9-7-12/h2-9,14,16H,10H2,1H3,(H,20,23)/t14-,16-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97244437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).