4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

C17H24N6O2 — CID 53204318

IUPAC4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCCCN1CCN(C(=O)CCC(=O)Nc2nnc3ccccn23)CC1
InChIInChI=1S/C17H24N6O2/c1-2-8-21-10-12-22(13-11-21)16(25)7-6-15(24)18-17-20-19-14-5-3-4-9-23(14)17/h3-5,9H,2,6-8,10-13H2,1H3,(H,18,20,24)
InChIKeySLBJVLTYPGFBPC-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.00
Rot. Bonds6

About 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 53204318) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID53204318
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCCCN1CCN(C(=O)CCC(=O)Nc2nnc3ccccn23)CC1
InChIInChI=1S/C17H24N6O2/c1-2-8-21-10-12-22(13-11-21)16(25)7-6-15(24)18-17-20-19-14-5-3-4-9-23(14)17/h3-5,9H,2,6-8,10-13H2,1H3,(H,18,20,24)
InChIKeySLBJVLTYPGFBPC-UHFFFAOYSA-N
XLogP1.00
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide with MolForge

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Related Compounds

4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204310
4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204321
4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204329
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490156
2-(1-hydroxycyclopentyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 111536814
N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide
CID 53204352
ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
CID 110471107
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
CID 53204403
N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanediamide
CID 53204336

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 53204318) is 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is CCCN1CCN(C(=O)CCC(=O)Nc2nnc3ccccn23)CC1.
What is the InChIKey of 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is SLBJVLTYPGFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-8-21-10-12-22(13-11-21)16(25)7-6-15(24)18-17-20-19-14-5-3-4-9-23(14)17/h3-5,9H,2,6-8,10-13H2,1H3,(H,18,20,24).
What are the key properties of 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 344.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 53204318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).