1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C24H20F2N4O3 — CID 55783688

IUPAC1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)c1
InChIInChI=1S/C24H20F2N4O3/c25-17-7-8-21(20(26)12-17)30-14-16(11-22(30)31)24(33)29-18-6-3-4-15(10-18)23(32)28-13-19-5-1-2-9-27-19/h1-10,12,16H,11,13-14H2,(H,28,32)(H,29,33)
InChIKeyPIBQTWKBPZIPJA-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.28
Rot. Bonds6

About 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55783688) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55783688
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)c1
InChIInChI=1S/C24H20F2N4O3/c25-17-7-8-21(20(26)12-17)30-14-16(11-22(30)31)24(33)29-18-6-3-4-15(10-18)23(32)28-13-19-5-1-2-9-27-19/h1-10,12,16H,11,13-14H2,(H,28,32)(H,29,33)
InChIKeyPIBQTWKBPZIPJA-UHFFFAOYSA-N
XLogP3.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783616
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-(2-pyridin-2-ylsulfanyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 95350696
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
CID 166340166
1-(2,4-difluorophenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46404152
1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55853844
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
1-(2,6-difluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113192245
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55979557
1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
N-[[3-(butanoylamino)phenyl]methyl]-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55782900

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 55783688) is 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PIBQTWKBPZIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c25-17-7-8-21(20(26)12-17)30-14-16(11-22(30)31)24(33)29-18-6-3-4-15(10-18)23(32)28-13-19-5-1-2-9-27-19/h1-10,12,16H,11,13-14H2,(H,28,32)(H,29,33).
What are the key properties of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55783688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).