2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide

C21H19N7O2 — CID 3224444

IUPAC2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)n1
InChIInChI=1S/C21H19N7O2/c1-14-5-3-4-6-17(14)18-8-10-21(30)27(24-18)12-20(29)23-16-7-9-19(15(2)11-16)28-13-22-25-26-28/h3-11,13H,12H2,1-2H3,(H,23,29)
InChIKeyIYIJZSGUABRSFG-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.14
Rot. Bonds5

About 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide

2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 3224444) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID3224444
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)n1
InChIInChI=1S/C21H19N7O2/c1-14-5-3-4-6-17(14)18-8-10-21(30)27(24-18)12-20(29)23-16-7-9-19(15(2)11-16)28-13-22-25-26-28/h3-11,13H,12H2,1-2H3,(H,23,29)
InChIKeyIYIJZSGUABRSFG-UHFFFAOYSA-N
XLogP2.14
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
ethyl 4-[[2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7671956
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665990
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 134044071
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
methyl 4-[[2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7672095
N-(3,4-dichlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662891
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224443

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (CID 3224444) is 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is IYIJZSGUABRSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-14-5-3-4-6-17(14)18-8-10-21(30)27(24-18)12-20(29)23-16-7-9-19(15(2)11-16)28-13-22-25-26-28/h3-11,13H,12H2,1-2H3,(H,23,29).
What are the key properties of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 401.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 3224444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).