N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C20H21N5O3 — CID 121050559

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C20H21N5O3/c1-4-28-16-7-5-15(6-8-16)17-9-10-19(27)25(24-17)12-18(26)23-20-21-13(2)11-14(3)22-20/h5-11H,4,12H2,1-3H3,(H,21,22,23,26)
InChIKeyVAOZZOJVLUIZKB-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.35
Rot. Bonds6

About N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050559) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050559
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C20H21N5O3/c1-4-28-16-7-5-15(6-8-16)17-9-10-19(27)25(24-17)12-18(26)23-20-21-13(2)11-14(3)22-20/h5-11H,4,12H2,1-3H3,(H,21,22,23,26)
InChIKeyVAOZZOJVLUIZKB-UHFFFAOYSA-N
XLogP2.35
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051596
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 121050569
N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050431
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7662101
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376383
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7662212
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121050018
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050441

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050559) is N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(C)cc(C)n3)n2)cc1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is VAOZZOJVLUIZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-4-28-16-7-5-15(6-8-16)17-9-10-19(27)25(24-17)12-18(26)23-20-21-13(2)11-14(3)22-20/h5-11H,4,12H2,1-3H3,(H,21,22,23,26).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).