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

C21H26N4O2 — CID 74056235

IUPAC2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C21H26N4O2/c1-14(19-24-23-18-8-6-7-13-25(18)19)22-20(26)15(2)27-17-11-9-16(10-12-17)21(3,4)5/h6-15H,1-5H3,(H,22,26)
InChIKeyADZSLUABMJQNIP-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.67
Rot. Bonds5

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

2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 74056235) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID74056235
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C21H26N4O2/c1-14(19-24-23-18-8-6-7-13-25(18)19)22-20(26)15(2)27-17-11-9-16(10-12-17)21(3,4)5/h6-15H,1-5H3,(H,22,26)
InChIKeyADZSLUABMJQNIP-UHFFFAOYSA-N
XLogP3.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219
2-(4-tert-butylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 23474335
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
2-(4-tert-butylphenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51315740
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
2-amino-4-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 43703576
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
(2R)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100554032
2-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247663

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 74056235) is 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)c1nnc2ccccn12.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is ADZSLUABMJQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(19-24-23-18-8-6-7-13-25(18)19)22-20(26)15(2)27-17-11-9-16(10-12-17)21(3,4)5/h6-15H,1-5H3,(H,22,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 366.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 74056235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).