1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C20H18ClN3O4 — CID 8777407

IUPAC1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc(OC)c1
InChIInChI=1S/C20H18ClN3O4/c1-12-8-18(25)19(23-24(12)17-7-5-4-6-16(17)21)20(26)22-13-9-14(27-2)11-15(10-13)28-3/h4-11H,1-3H3,(H,22,26)
InChIKeyZXJFYGRGURQQQO-UHFFFAOYSA-N
MW399.83 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 8777407) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID8777407
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc(OC)c1
InChIInChI=1S/C20H18ClN3O4/c1-12-8-18(25)19(23-24(12)17-7-5-4-6-16(17)21)20(26)22-13-9-14(27-2)11-15(10-13)28-3/h4-11H,1-3H3,(H,22,26)
InChIKeyZXJFYGRGURQQQO-UHFFFAOYSA-N
XLogP3.46
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
CID 9091495
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
1-(2-chlorophenyl)-N-(3-cyanophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777620
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 35358897
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18161080
1-(2-chlorophenyl)-6-methyl-N-[2-(4-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
CID 9088728
(4-methoxycarbonylphenyl) 1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 8777354
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 7603195

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 8777407) is 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide is COc1cc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc(OC)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is ZXJFYGRGURQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-12-8-18(25)19(23-24(12)17-7-5-4-6-16(17)21)20(26)22-13-9-14(27-2)11-15(10-13)28-3/h4-11H,1-3H3,(H,22,26).
What are the key properties of 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8777407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).