(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C20H24N4O2 — CID 40987219

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C20H24N4O2/c1-14(26-16-10-8-15(9-11-16)20(2,3)4)19(25)21-13-18-23-22-17-7-5-6-12-24(17)18/h5-12,14H,13H2,1-4H3,(H,21,25)/t14-/m1/s1
InChIKeyOQZQWSHTESPQEL-CQSZACIVSA-N
MW352.44 g/mol
LogP3.11
Rot. Bonds5

About (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 40987219) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID40987219
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C20H24N4O2/c1-14(26-16-10-8-15(9-11-16)20(2,3)4)19(25)21-13-18-23-22-17-7-5-6-12-24(17)18/h5-12,14H,13H2,1-4H3,(H,21,25)/t14-/m1/s1
InChIKeyOQZQWSHTESPQEL-CQSZACIVSA-N
XLogP3.11
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)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

2-(4-tert-butylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 23474335
2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 74056235
(2S)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943795
2-(4-fluorophenoxy)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 18102370
4-tert-butyl-N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 17465781
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
4-tert-butyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]benzamide
CID 9021187
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 55408770
1-[(4-tert-butylphenyl)methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111016521
2-(3,4-dimethoxyphenyl)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71853828
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 40987219) is (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nnc2ccccn12.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is OQZQWSHTESPQEL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(26-16-10-8-15(9-11-16)20(2,3)4)19(25)21-13-18-23-22-17-7-5-6-12-24(17)18/h5-12,14H,13H2,1-4H3,(H,21,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 352.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 40987219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).