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

C21H24N6O3 — CID 53204329

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCOc1ccc(N2CCN(C(=O)CCC(=O)Nc3nnc4ccccn34)CC2)cc1
InChIInChI=1S/C21H24N6O3/c1-30-17-7-5-16(6-8-17)25-12-14-26(15-13-25)20(29)10-9-19(28)22-21-24-23-18-4-2-3-11-27(18)21/h2-8,11H,9-10,12-15H2,1H3,(H,22,24,28)
InChIKeyBSGNLECGOFLFOM-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.81
Rot. Bonds6

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

4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 53204329) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID53204329
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCOc1ccc(N2CCN(C(=O)CCC(=O)Nc3nnc4ccccn34)CC2)cc1
InChIInChI=1S/C21H24N6O3/c1-30-17-7-5-16(6-8-17)25-12-14-26(15-13-25)20(29)10-9-19(28)22-21-24-23-18-4-2-3-11-27(18)21/h2-8,11H,9-10,12-15H2,1H3,(H,22,24,28)
InChIKeyBSGNLECGOFLFOM-UHFFFAOYSA-N
XLogP1.81
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204321
4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204318
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204310
3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 53203397
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490376
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
5-(4-methoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 53204394
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593005
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylamino)propan-1-one
CID 109024278
N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide
CID 4528259

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 53204329) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is COc1ccc(N2CCN(C(=O)CCC(=O)Nc3nnc4ccccn34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is BSGNLECGOFLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-30-17-7-5-16(6-8-17)25-12-14-26(15-13-25)20(29)10-9-19(28)22-21-24-23-18-4-2-3-11-27(18)21/h2-8,11H,9-10,12-15H2,1H3,(H,22,24,28).
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 408.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 53204329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).