2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide

C18H23N5O2 — CID 113040242

IUPAC2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)nn2)cc1
InChIInChI=1S/C18H23N5O2/c1-22-9-11-23(12-10-22)17-8-7-16(20-21-17)19-18(24)13-14-3-5-15(25-2)6-4-14/h3-8H,9-13H2,1-2H3,(H,19,20,24)
InChIKeyDYNGZCMFZSXKQR-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.42
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide

2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide (PubChem CID 113040242) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
PubChem CID113040242
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)nn2)cc1
InChIInChI=1S/C18H23N5O2/c1-22-9-11-23(12-10-22)17-8-7-16(20-21-17)19-18(24)13-14-3-5-15(25-2)6-4-14/h3-8H,9-13H2,1-2H3,(H,19,20,24)
InChIKeyDYNGZCMFZSXKQR-UHFFFAOYSA-N
XLogP1.42
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
CID 113045434
2-(4-methoxyphenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040037
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 121038220
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 113045448

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide (CID 113040242) is 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)nn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
The InChIKey is DYNGZCMFZSXKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-9-11-23(12-10-22)17-8-7-16(20-21-17)19-18(24)13-14-3-5-15(25-2)6-4-14/h3-8H,9-13H2,1-2H3,(H,19,20,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113040242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).