2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide

C20H29ClN4O2 — CID 4280505

IUPAC2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide
SMILESCCN(CC)CC(C)CNC(=O)CN1NC(c2ccc(Cl)cc2)=CCC1=O
InChIInChI=1S/C20H29ClN4O2/c1-4-24(5-2)13-15(3)12-22-19(26)14-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-10,15,23H,4-5,11-14H2,1-3H3,(H,22,26)
InChIKeyNCVXERZRTVKMEX-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.51
Rot. Bonds9

About 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide

2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide (PubChem CID 4280505) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide
PubChem CID4280505
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide
SMILESCCN(CC)CC(C)CNC(=O)CN1NC(c2ccc(Cl)cc2)=CCC1=O
InChIInChI=1S/C20H29ClN4O2/c1-4-24(5-2)13-15(3)12-22-19(26)14-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-10,15,23H,4-5,11-14H2,1-3H3,(H,22,26)
InChIKeyNCVXERZRTVKMEX-UHFFFAOYSA-N
XLogP2.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3295262
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495110
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]acetamide
CID 3645212
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 4171539
N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 5060364
N-(furan-2-ylmethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3424095
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 119997682
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5002861
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 43030846
2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
CID 83252428
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide
CID 46608299

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide (CID 4280505) is 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide is CCN(CC)CC(C)CNC(=O)CN1NC(c2ccc(Cl)cc2)=CCC1=O.
What is the InChIKey of 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide?
The InChIKey is NCVXERZRTVKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-4-24(5-2)13-15(3)12-22-19(26)14-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-10,15,23H,4-5,11-14H2,1-3H3,(H,22,26).
What are the key properties of 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide?
2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide has a molecular weight of 392.93 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide is sourced from PubChem (CID 4280505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).