2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide

C17H23N5O2 — CID 46528379

IUPAC2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H23N5O2/c1-17(2,3)16(24)18-11-14(23)21-10-6-7-12(21)15-20-19-13-8-4-5-9-22(13)15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,24)
InChIKeyWVFISFBMPXOKEO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.56
Rot. Bonds3

About 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 46528379) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide
PubChem CID46528379
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H23N5O2/c1-17(2,3)16(24)18-11-14(23)21-10-6-7-12(21)15-20-19-13-8-4-5-9-22(13)15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,24)
InChIKeyWVFISFBMPXOKEO-UHFFFAOYSA-N
XLogP1.56
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide
CID 24612298
2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide
CID 86921275
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 42924146
4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 38717084
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95299285
1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 94446547
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 94180427
1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
CID 51926193
2-[3-oxo-3-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135910568
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide (CID 46528379) is 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)N1CCCC1c1nnc2ccccn12.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide?
The InChIKey is WVFISFBMPXOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)16(24)18-11-14(23)21-10-6-7-12(21)15-20-19-13-8-4-5-9-22(13)15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,24).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 46528379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).