6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide

C18H23Cl2N3O3Si — CID 69217418

IUPAC6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(Cl)cc(C(=O)NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H23Cl2N3O3Si/c1-27(2,3)9-8-26-12-23-18(25)15(10-16(20)22-23)17(24)21-11-13-4-6-14(19)7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyLJOZIPCRAQXELJ-UHFFFAOYSA-N
MW428.39 g/mol
LogP3.79
Rot. Bonds8

About 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide

6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide (PubChem CID 69217418) has the molecular formula C18H23Cl2N3O3Si and a molecular weight of 428.39 g/mol. Its IUPAC name is 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide
PubChem CID69217418
Molecular FormulaC18H23Cl2N3O3Si
Molecular Weight428.39 g/mol
Exact Mass427.09
IUPAC Name6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(Cl)cc(C(=O)NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H23Cl2N3O3Si/c1-27(2,3)9-8-26-12-23-18(25)15(10-16(20)22-23)17(24)21-11-13-4-6-14(19)7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyLJOZIPCRAQXELJ-UHFFFAOYSA-N
XLogP3.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 20583289
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
6-chloro-2-[(3,4-difluorophenyl)methyl]-N-[[4-(methylamino)quinazolin-6-yl]methyl]-3-oxopyridazine-4-carboxamide
CID 67477865
methyl 2-[6-chloro-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 68680030
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate
CID 118135944
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 175820295
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide (CID 69217418) is 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide is C[Si](C)(C)CCOCn1nc(Cl)cc(C(=O)NCc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide?
The InChIKey is LJOZIPCRAQXELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O3Si/c1-27(2,3)9-8-26-12-23-18(25)15(10-16(20)22-23)17(24)21-11-13-4-6-14(19)7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,24).
What are the key properties of 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide?
6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide has a molecular weight of 428.39 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 69217418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).