N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C22H20Cl2N4O3 — CID 16561882

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H20Cl2N4O3/c1-14-12-20(29)21(26-28(14)18-5-3-2-4-16(18)24)22(30)25-17-13-15(23)6-7-19(17)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,25,30)
InChIKeyZOHBJFRZTPYTIB-UHFFFAOYSA-N
MW459.33 g/mol
LogP3.94
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 16561882) has the molecular formula C22H20Cl2N4O3 and a molecular weight of 459.33 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID16561882
Molecular FormulaC22H20Cl2N4O3
Molecular Weight459.33 g/mol
Exact Mass458.09
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H20Cl2N4O3/c1-14-12-20(29)21(26-28(14)18-5-3-2-4-16(18)24)22(30)25-17-13-15(23)6-7-19(17)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,25,30)
InChIKeyZOHBJFRZTPYTIB-UHFFFAOYSA-N
XLogP3.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 134008651
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CID 35358897
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
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CID 112768774
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
1-(2-chlorophenyl)-6-methyl-N-(4-methylpiperazin-1-yl)-4-oxopyridazine-3-carboxamide
CID 9075107
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
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
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 16561882) is N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)nn1-c1ccccc1Cl.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is ZOHBJFRZTPYTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3/c1-14-12-20(29)21(26-28(14)18-5-3-2-4-16(18)24)22(30)25-17-13-15(23)6-7-19(17)27-8-10-31-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,25,30).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 459.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 16561882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).