2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C22H23ClN6O2 — CID 52901224

IUPAC2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccn1
InChIInChI=1S/C22H23ClN6O2/c23-17-4-3-6-19(14-17)27-10-12-28(13-11-27)20-7-8-22(31)29(26-20)16-21(30)25-15-18-5-1-2-9-24-18/h1-9,14H,10-13,15-16H2,(H,25,30)
InChIKeyHWKKKJGGESHYFX-UHFFFAOYSA-N
MW438.92 g/mol
LogP1.93
Rot. Bonds6

About 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 52901224) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID52901224
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccn1
InChIInChI=1S/C22H23ClN6O2/c23-17-4-3-6-19(14-17)27-10-12-28(13-11-27)20-7-8-22(31)29(26-20)16-21(30)25-15-18-5-1-2-9-24-18/h1-9,14H,10-13,15-16H2,(H,25,30)
InChIKeyHWKKKJGGESHYFX-UHFFFAOYSA-N
XLogP1.93
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
N-[(E)-(4-bromophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetamide
CID 50940671
N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53368198
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42850938
N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53051316
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 121051180
N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4067221
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518394
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 52899767
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 51043011
N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53371201

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 52901224) is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccn1.
What is the InChIKey of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is HWKKKJGGESHYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c23-17-4-3-6-19(14-17)27-10-12-28(13-11-27)20-7-8-22(31)29(26-20)16-21(30)25-15-18-5-1-2-9-24-18/h1-9,14H,10-13,15-16H2,(H,25,30).
What are the key properties of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 438.92 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 52901224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).