N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C20H18Cl2N4O2 — CID 46458084

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(Cl)c2N(C)C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-12-11-17(27)18(24-26(12)14-9-7-13(21)8-10-14)20(28)23-16-6-4-5-15(22)19(16)25(2)3/h4-11H,1-3H3,(H,23,28)
InChIKeyPCSRGRHTGSYBNX-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.17
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 46458084) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID46458084
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(Cl)c2N(C)C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-12-11-17(27)18(24-26(12)14-9-7-13(21)8-10-14)20(28)23-16-6-4-5-15(22)19(16)25(2)3/h4-11H,1-3H3,(H,23,28)
InChIKeyPCSRGRHTGSYBNX-UHFFFAOYSA-N
XLogP4.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 38323508
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
methyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-2,4-difluorobenzoate
CID 24659358
N-(2-chlorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27824744
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
dimethyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 27667598
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27676187
1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 9192872
N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 46458084) is N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2N(C)C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is PCSRGRHTGSYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-12-11-17(27)18(24-26(12)14-9-7-13(21)8-10-14)20(28)23-16-6-4-5-15(22)19(16)25(2)3/h4-11H,1-3H3,(H,23,28).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 46458084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).