N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C22H21ClN4O4 — CID 38661688

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H21ClN4O4/c1-26(15-20(28)24-18-10-6-5-9-17(18)23)22(30)19-11-12-21(29)27(25-19)13-14-31-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,24,28)
InChIKeyBEPYTUZHYGHEGD-UHFFFAOYSA-N
MW440.89 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 38661688) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID38661688
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H21ClN4O4/c1-26(15-20(28)24-18-10-6-5-9-17(18)23)22(30)19-11-12-21(29)27(25-19)13-14-31-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,24,28)
InChIKeyBEPYTUZHYGHEGD-UHFFFAOYSA-N
XLogP2.69
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55985605
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24603947
6-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 49395200
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 55430048
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 9409881

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 38661688) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is BEPYTUZHYGHEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c1-26(15-20(28)24-18-10-6-5-9-17(18)23)22(30)19-11-12-21(29)27(25-19)13-14-31-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,24,28).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 38661688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).