N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide

C24H24ClN5O4 — CID 26681882

IUPACN-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C24H24ClN5O4/c25-23-20(15-27-30(24(23)33)18-7-3-1-4-8-18)28-11-13-29(14-12-28)22(32)16-26-21(31)17-34-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,26,31)
InChIKeyPBLFFOAOLQDWDI-UHFFFAOYSA-N
MW481.94 g/mol
LogP1.73
Rot. Bonds7

About N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide

N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide (PubChem CID 26681882) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
PubChem CID26681882
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC NameN-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C24H24ClN5O4/c25-23-20(15-27-30(24(23)33)18-7-3-1-4-8-18)28-11-13-29(14-12-28)22(32)16-26-21(31)17-34-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,26,31)
InChIKeyPBLFFOAOLQDWDI-UHFFFAOYSA-N
XLogP1.73
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide (CID 26681882) is N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The InChIKey is PBLFFOAOLQDWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c25-23-20(15-27-30(24(23)33)18-7-3-1-4-8-18)28-11-13-29(14-12-28)22(32)16-26-21(31)17-34-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,26,31).
What are the key properties of N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide has a molecular weight of 481.94 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide is sourced from PubChem (CID 26681882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).