1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

C18H19N5O2S — CID 91947429

IUPAC1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCCc2nnc3ccccn23)C1c1cccs1
InChIInChI=1S/C18H19N5O2S/c1-22-16(24)11-12(17(22)13-5-4-10-26-13)18(25)19-8-7-15-21-20-14-6-2-3-9-23(14)15/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,19,25)
InChIKeyYHVGJRJDVKNIBG-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.67
Rot. Bonds5

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

1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 91947429) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID91947429
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCCc2nnc3ccccn23)C1c1cccs1
InChIInChI=1S/C18H19N5O2S/c1-22-16(24)11-12(17(22)13-5-4-10-26-13)18(25)19-8-7-15-21-20-14-6-2-3-9-23(14)15/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,19,25)
InChIKeyYHVGJRJDVKNIBG-UHFFFAOYSA-N
XLogP1.67
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2S)-2-(5-methylthiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 95273551
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63714986
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 64824029
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
(2R,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97456988
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide
CID 17474331
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 43018498

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 91947429) is 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)NCCc2nnc3ccccn23)C1c1cccs1.
What is the InChIKey of 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is YHVGJRJDVKNIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22-16(24)11-12(17(22)13-5-4-10-26-13)18(25)19-8-7-15-21-20-14-6-2-3-9-23(14)15/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,19,25).
What are the key properties of 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91947429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).