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

C19H21N7O2 — CID 53204321

IUPAC4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc2ccccn12
InChIInChI=1S/C19H21N7O2/c27-17(21-19-23-22-16-6-2-4-10-26(16)19)7-8-18(28)25-13-11-24(12-14-25)15-5-1-3-9-20-15/h1-6,9-10H,7-8,11-14H2,(H,21,23,27)
InChIKeyQXQHBKVHNSDGBU-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.19
Rot. Bonds5

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

4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 53204321) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID53204321
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc2ccccn12
InChIInChI=1S/C19H21N7O2/c27-17(21-19-23-22-16-6-2-4-10-26(16)19)7-8-18(28)25-13-11-24(12-14-25)15-5-1-3-9-20-15/h1-6,9-10H,7-8,11-14H2,(H,21,23,27)
InChIKeyQXQHBKVHNSDGBU-UHFFFAOYSA-N
XLogP1.19
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204329
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
N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 44760722
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 1396983
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 71453212
N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
CID 44760715
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 53204321) is 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc2ccccn12.
What is the InChIKey of 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is QXQHBKVHNSDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c27-17(21-19-23-22-16-6-2-4-10-26(16)19)7-8-18(28)25-13-11-24(12-14-25)15-5-1-3-9-20-15/h1-6,9-10H,7-8,11-14H2,(H,21,23,27).
What are the key properties of 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 379.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 53204321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).