1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C25H24FN3O2 — CID 52992577

IUPAC1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C25H24FN3O2/c26-21-9-11-23(12-10-21)29-17-20(16-24(29)30)25(31)28(18-22-8-4-5-14-27-22)15-13-19-6-2-1-3-7-19/h1-12,14,20H,13,15-18H2
InChIKeyWJVJKHBLBIRGFV-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 52992577) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID52992577
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C25H24FN3O2/c26-21-9-11-23(12-10-21)29-17-20(16-24(29)30)25(31)28(18-22-8-4-5-14-27-22)15-13-19-6-2-1-3-7-19/h1-12,14,20H,13,15-18H2
InChIKeyWJVJKHBLBIRGFV-UHFFFAOYSA-N
XLogP3.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 17310597
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55981038
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 43986368
2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 74251298
methyl 3-[benzyl-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55547764
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55980123
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 90570252
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55577980
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 52992577) is 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WJVJKHBLBIRGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-21-9-11-23(12-10-21)29-17-20(16-24(29)30)25(31)28(18-22-8-4-5-14-27-22)15-13-19-6-2-1-3-7-19/h1-12,14,20H,13,15-18H2.
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 52992577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).