1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide

C22H25N5O3 — CID 60566041

IUPAC1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCCCn3nc4ccccn4c3=O)CC2=O)cc1
InChIInChI=1S/C22H25N5O3/c1-2-16-7-9-18(10-8-16)26-15-17(14-20(26)28)21(29)23-11-5-13-27-22(30)25-12-4-3-6-19(25)24-27/h3-4,6-10,12,17H,2,5,11,13-15H2,1H3,(H,23,29)
InChIKeyFUOSWWXXHHLJEV-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.62
Rot. Bonds7

About 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide

1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 60566041) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID60566041
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCCCn3nc4ccccn4c3=O)CC2=O)cc1
InChIInChI=1S/C22H25N5O3/c1-2-16-7-9-18(10-8-16)26-15-17(14-20(26)28)21(29)23-11-5-13-27-22(30)25-12-4-3-6-19(25)24-27/h3-4,6-10,12,17H,2,5,11,13-15H2,1H3,(H,23,29)
InChIKeyFUOSWWXXHHLJEV-UHFFFAOYSA-N
XLogP1.62
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9390100
1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 134036092
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 49068354
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 55537345

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide (CID 60566041) is 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCCCn3nc4ccccn4c3=O)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is FUOSWWXXHHLJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-16-7-9-18(10-8-16)26-15-17(14-20(26)28)21(29)23-11-5-13-27-22(30)25-12-4-3-6-19(25)24-27/h3-4,6-10,12,17H,2,5,11,13-15H2,1H3,(H,23,29).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 60566041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).