(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide

C21H23N5O2 — CID 97266909

IUPAC(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
SMILESCC(C)[C@H](C(=O)NCCc1nnc2ccccn12)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H23N5O2/c1-14(2)19(26-13-15-7-3-4-8-16(15)21(26)28)20(27)22-11-10-18-24-23-17-9-5-6-12-25(17)18/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyNRTSCMUBWSLZRL-LJQANCHMSA-N
MW377.45 g/mol
LogP2.07
Rot. Bonds6

About (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide

(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide (PubChem CID 97266909) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
PubChem CID97266909
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
SMILESCC(C)[C@H](C(=O)NCCc1nnc2ccccn12)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H23N5O2/c1-14(2)19(26-13-15-7-3-4-8-16(15)21(26)28)20(27)22-11-10-18-24-23-17-9-5-6-12-25(17)18/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyNRTSCMUBWSLZRL-LJQANCHMSA-N
XLogP2.07
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide 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

(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 71829789
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
CID 71829770
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51923704
3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 106112421
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 98273936
2-(4-tert-butylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 23474335
3-methyl-2-[(2-phenoxyacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 78810198
4-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 91822409
(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide
CID 95629165

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
The IUPAC name of (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) is (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide is CC(C)[C@H](C(=O)NCCc1nnc2ccccn12)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
The InChIKey is NRTSCMUBWSLZRL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(2)19(26-13-15-7-3-4-8-16(15)21(26)28)20(27)22-11-10-18-24-23-17-9-5-6-12-25(17)18/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,22,27)/t19-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide?
(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide has a molecular weight of 377.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide is sourced from PubChem (CID 97266909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).