2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

C19H23Cl2N5O2 — CID 162727955

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)c(C)c2)CC1
InChIInChI=1S/C19H23Cl2N5O2/c1-3-24-6-8-25(9-7-24)14-4-5-16(13(2)10-14)23-17(27)12-26-19(28)18(21)15(20)11-22-26/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,27)
InChIKeyRRQAZRCCXUXPOU-UHFFFAOYSA-N
MW424.33 g/mol
LogP2.64
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (PubChem CID 162727955) has the molecular formula C19H23Cl2N5O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
PubChem CID162727955
Molecular FormulaC19H23Cl2N5O2
Molecular Weight424.33 g/mol
Exact Mass423.12
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)c(C)c2)CC1
InChIInChI=1S/C19H23Cl2N5O2/c1-3-24-6-8-25(9-7-24)14-4-5-16(13(2)10-14)23-17(27)12-26-19(28)18(21)15(20)11-22-26/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,27)
InChIKeyRRQAZRCCXUXPOU-UHFFFAOYSA-N
XLogP2.64
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2585015
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 22198769
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 36565957
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
CID 55773781
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
CID 55731125
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32761024
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46636846
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (CID 162727955) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is CCN1CCN(c2ccc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)c(C)c2)CC1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The InChIKey is RRQAZRCCXUXPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O2/c1-3-24-6-8-25(9-7-24)14-4-5-16(13(2)10-14)23-17(27)12-26-19(28)18(21)15(20)11-22-26/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,27).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide has a molecular weight of 424.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 162727955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).