N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22FN3O3 — CID 55707851

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CC(=O)N(c3ccc(C)cc3F)C2)ccn1
InChIInChI=1S/C20H22FN3O3/c1-3-27-18-9-14(6-7-22-18)11-23-20(26)15-10-19(25)24(12-15)17-5-4-13(2)8-16(17)21/h4-9,15H,3,10-12H2,1-2H3,(H,23,26)
InChIKeyLPSZFYDBSUHMPY-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.60
Rot. Bonds6

About N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55707851) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55707851
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CC(=O)N(c3ccc(C)cc3F)C2)ccn1
InChIInChI=1S/C20H22FN3O3/c1-3-27-18-9-14(6-7-22-18)11-23-20(26)15-10-19(25)24(12-15)17-5-4-13(2)8-16(17)21/h4-9,15H,3,10-12H2,1-2H3,(H,23,26)
InChIKeyLPSZFYDBSUHMPY-UHFFFAOYSA-N
XLogP2.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55745814
1-(2-fluoro-4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55616189
1-(2-fluoro-4-methylphenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56555209
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55749401
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55659080
tert-butyl N-[2-[[(3S)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 52536326
1-(2-fluoro-4-methylphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751672
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-ethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24553269
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
2-[[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245089
(3S)-1-(2-fluoro-4-methylphenyl)-N-(2-imidazol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 94021870

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55707851) is N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1cc(CNC(=O)C2CC(=O)N(c3ccc(C)cc3F)C2)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LPSZFYDBSUHMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-3-27-18-9-14(6-7-22-18)11-23-20(26)15-10-19(25)24(12-15)17-5-4-13(2)8-16(17)21/h4-9,15H,3,10-12H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55707851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).