N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

C21H22ClN5O — CID 109126338

IUPACN-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)NCCc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C21H22ClN5O/c1-27(2)18-8-6-17(7-9-18)24-20-11-10-19(25-26-20)21(28)23-13-12-15-4-3-5-16(22)14-15/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyGQAOHWASRIFWEU-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.91
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (PubChem CID 109126338) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
PubChem CID109126338
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)NCCc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C21H22ClN5O/c1-27(2)18-8-6-17(7-9-18)24-20-11-10-19(25-26-20)21(28)23-13-12-15-4-3-5-16(22)14-15/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyGQAOHWASRIFWEU-UHFFFAOYSA-N
XLogP3.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121704
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699
6-(4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122416
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
CID 109196611
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (CID 109126338) is N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is CN(C)c1ccc(Nc2ccc(C(=O)NCCc3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The InChIKey is GQAOHWASRIFWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-27(2)18-8-6-17(7-9-18)24-20-11-10-19(25-26-20)21(28)23-13-12-15-4-3-5-16(22)14-15/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109126338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).