N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C20H15ClN4O2 — CID 121050600

IUPACN-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1
InChIInChI=1S/C20H15ClN4O2/c1-13-2-4-14(5-3-13)17-8-9-20(27)25(24-17)12-19(26)23-18-10-16(21)7-6-15(18)11-22/h2-10H,12H2,1H3,(H,23,26)
InChIKeyKQBKHCAKFPJNKR-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.38
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050600) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050600
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1
InChIInChI=1S/C20H15ClN4O2/c1-13-2-4-14(5-3-13)17-8-9-20(27)25(24-17)12-19(26)23-18-10-16(21)7-6-15(18)11-22/h2-10H,12H2,1H3,(H,23,26)
InChIKeyKQBKHCAKFPJNKR-UHFFFAOYSA-N
XLogP3.38
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050897
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052696
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
4-chloro-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55877331

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050600) is N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is KQBKHCAKFPJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-13-2-4-14(5-3-13)17-8-9-20(27)25(24-17)12-19(26)23-18-10-16(21)7-6-15(18)11-22/h2-10H,12H2,1H3,(H,23,26).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 378.82 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).