N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C24H26ClN5O2 — CID 4067222

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)29-15-13-28(14-16-29)12-11-26-23(31)18-30-24(32)10-9-22(27-30)19-5-2-1-3-6-19/h1-10,17H,11-16,18H2,(H,26,31)
InChIKeyZGCXCVAICLMBAA-UHFFFAOYSA-N
MW451.96 g/mol
LogP2.50
Rot. Bonds7

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 4067222) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID4067222
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)29-15-13-28(14-16-29)12-11-26-23(31)18-30-24(32)10-9-22(27-30)19-5-2-1-3-6-19/h1-10,17H,11-16,18H2,(H,26,31)
InChIKeyZGCXCVAICLMBAA-UHFFFAOYSA-N
XLogP2.50
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 4067222) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is ZGCXCVAICLMBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)29-15-13-28(14-16-29)12-11-26-23(31)18-30-24(32)10-9-22(27-30)19-5-2-1-3-6-19/h1-10,17H,11-16,18H2,(H,26,31).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 451.96 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 4067222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).