4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide

C21H24N4O2 — CID 39277358

IUPAC4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NCc2nnc3ccccn23)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)13-16-6-8-17(9-7-16)18(26)10-11-21(27)22-14-20-24-23-19-5-3-4-12-25(19)20/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyWYJBEAICQFMFFY-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.21
Rot. Bonds8

About 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide

4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide (PubChem CID 39277358) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
PubChem CID39277358
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NCc2nnc3ccccn23)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)13-16-6-8-17(9-7-16)18(26)10-11-21(27)22-14-20-24-23-19-5-3-4-12-25(19)20/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyWYJBEAICQFMFFY-UHFFFAOYSA-N
XLogP3.21
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide with MolForge

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Related Compounds

4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
4-tert-butyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]benzamide
CID 9021187
3-(tert-butylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 61274592
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152
4-tert-butyl-N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 17465781
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
3-(phenylcarbamoylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9451649
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide (CID 39277358) is 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide is CC(C)Cc1ccc(C(=O)CCC(=O)NCc2nnc3ccccn23)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
The InChIKey is WYJBEAICQFMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)13-16-6-8-17(9-7-16)18(26)10-11-21(27)22-14-20-24-23-19-5-3-4-12-25(19)20/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,22,27).
What are the key properties of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide?
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide has a molecular weight of 364.45 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 39277358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).