N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C22H22ClN3O4 — CID 16885406

IUPACN-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1OC
InChIInChI=1S/C22H22ClN3O4/c1-29-19-11-9-15(14-20(19)30-2)17-10-12-22(28)26(25-17)13-5-8-21(27)24-18-7-4-3-6-16(18)23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,27)
InChIKeyYVBRSEWMOIALMM-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.00
Rot. Bonds8

About N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885406) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885406
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC NameN-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1OC
InChIInChI=1S/C22H22ClN3O4/c1-29-19-11-9-15(14-20(19)30-2)17-10-12-22(28)26(25-17)13-5-8-21(27)24-18-7-4-3-6-16(18)23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,27)
InChIKeyYVBRSEWMOIALMM-UHFFFAOYSA-N
XLogP4.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)butanamide
CID 16885379
N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885434
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16885474
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
CID 16885465
N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885370
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16884696
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 16885460
2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885167
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885783
N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885211
N-(3,5-dichlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376369

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885406) is N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is YVBRSEWMOIALMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-29-19-11-9-15(14-20(19)30-2)17-10-12-22(28)26(25-17)13-5-8-21(27)24-18-7-4-3-6-16(18)23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 427.89 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).