(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

C20H21N5O2 — CID 71829789

IUPAC(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESC[C@@H](C(=O)NCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H21N5O2/c1-14(25-13-15-7-2-3-8-16(15)20(25)27)19(26)21-11-6-10-18-23-22-17-9-4-5-12-24(17)18/h2-5,7-9,12,14H,6,10-11,13H2,1H3,(H,21,26)/t14-/m0/s1
InChIKeyDSFXGNTVSZYBOO-AWEZNQCLSA-N
MW363.42 g/mol
LogP1.82
Rot. Bonds6

About (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (PubChem CID 71829789) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
PubChem CID71829789
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESC[C@@H](C(=O)NCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H21N5O2/c1-14(25-13-15-7-2-3-8-16(15)20(25)27)19(26)21-11-6-10-18-23-22-17-9-4-5-12-24(17)18/h2-5,7-9,12,14H,6,10-11,13H2,1H3,(H,21,26)/t14-/m0/s1
InChIKeyDSFXGNTVSZYBOO-AWEZNQCLSA-N
XLogP1.82
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.82
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

(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 97266909
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 91947817
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947565
1-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 97094926
2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91772735
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
2-(2-methylpropyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111802991
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (CID 71829789) is (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is C[C@@H](C(=O)NCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The InChIKey is DSFXGNTVSZYBOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(25-13-15-7-2-3-8-16(15)20(25)27)19(26)21-11-6-10-18-23-22-17-9-4-5-12-24(17)18/h2-5,7-9,12,14H,6,10-11,13H2,1H3,(H,21,26)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide has a molecular weight of 363.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is sourced from PubChem (CID 71829789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).