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

C17H21N5O2 — CID 70737647

IUPAC1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21N5O2/c23-16-10-12(11-22(16)13-6-7-13)17(24)18-8-3-5-15-20-19-14-4-1-2-9-21(14)15/h1-2,4,9,12-13H,3,5-8,10-11H2,(H,18,24)
InChIKeyAQGHEMWQTKASPS-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.79
Rot. Bonds6

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

1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 70737647) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID70737647
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21N5O2/c23-16-10-12(11-22(16)13-6-7-13)17(24)18-8-3-5-15-20-19-14-4-1-2-9-21(14)15/h1-2,4,9,12-13H,3,5-8,10-11H2,(H,18,24)
InChIKeyAQGHEMWQTKASPS-UHFFFAOYSA-N
XLogP0.79
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 86207232
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide
CID 95859560
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-3-carboxamide
CID 96557373
6-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperazine-2-carboxamide
CID 56871360
1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 43018498
1-(2-ethoxyphenyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 51208296
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 97429696
(9S)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125159638
(9R)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125159636
(3S)-1-cyclopropyl-5-oxo-N-[3-(2-phenylethoxy)propyl]pyrrolidine-3-carboxamide
CID 94627844

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide (CID 70737647) is 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide is O=C(NCCCc1nnc2ccccn12)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is AQGHEMWQTKASPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16-10-12(11-22(16)13-6-7-13)17(24)18-8-3-5-15-20-19-14-4-1-2-9-21(14)15/h1-2,4,9,12-13H,3,5-8,10-11H2,(H,18,24).
What are the key properties of 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70737647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).