3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C24H32N4O2 — CID 24547449

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCc2nnc3ccccn23)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H32N4O2/c1-23(2,3)17-13-16(14-18(22(17)30)24(4,5)6)10-11-21(29)25-15-20-27-26-19-9-7-8-12-28(19)20/h7-9,12-14,30H,10-11,15H2,1-6H3,(H,25,29)
InChIKeyHRSMXAVSGJJKLW-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.28
Rot. Bonds5

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 24547449) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID24547449
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCc2nnc3ccccn23)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H32N4O2/c1-23(2,3)17-13-16(14-18(22(17)30)24(4,5)6)10-11-21(29)25-15-20-27-26-19-9-7-8-12-28(19)20/h7-9,12-14,30H,10-11,15H2,1-6H3,(H,25,29)
InChIKeyHRSMXAVSGJJKLW-UHFFFAOYSA-N
XLogP4.28
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide with MolForge

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Related Compounds

3-(tert-butylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 61274592
4-tert-butyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]benzamide
CID 9021187
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259
4-tert-butyl-N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 17465781
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 39277358
3-(4-tert-butylphenyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 18126369
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
3-(phenylcarbamoylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9451649

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 24547449) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCc2nnc3ccccn23)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is HRSMXAVSGJJKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-23(2,3)17-13-16(14-18(22(17)30)24(4,5)6)10-11-21(29)25-15-20-27-26-19-9-7-8-12-28(19)20/h7-9,12-14,30H,10-11,15H2,1-6H3,(H,25,29).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 408.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 24547449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).