1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide

C22H21ClN4O2 — CID 35358897

IUPAC1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2N2CCCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H21ClN4O2/c1-15-14-20(28)21(25-27(15)18-10-4-2-8-16(18)23)22(29)24-17-9-3-5-11-19(17)26-12-6-7-13-26/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,24,29)
InChIKeyJLCLOWJOGUDVFF-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide

1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide (PubChem CID 35358897) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
PubChem CID35358897
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2N2CCCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H21ClN4O2/c1-15-14-20(28)21(25-27(15)18-10-4-2-8-16(18)23)22(29)24-17-9-3-5-11-19(17)26-12-6-7-13-26/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,24,29)
InChIKeyJLCLOWJOGUDVFF-UHFFFAOYSA-N
XLogP4.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561882
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 134008651
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
1-(2-chlorophenyl)-6-methyl-N-(4-methylpiperazin-1-yl)-4-oxopyridazine-3-carboxamide
CID 9075107
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
CID 9091495
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
1-(2-chlorophenyl)-N-(3-cyanophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777620
1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561745

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide (CID 35358897) is 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2N2CCCC2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is JLCLOWJOGUDVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-15-14-20(28)21(25-27(15)18-10-4-2-8-16(18)23)22(29)24-17-9-3-5-11-19(17)26-12-6-7-13-26/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,24,29).
What are the key properties of 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide?
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 35358897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).