N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C23H24ClN3O4 — CID 16885434

IUPACN-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-15-6-8-17(14-18(15)24)25-22(28)5-4-12-27-23(29)11-9-19(26-27)16-7-10-20(30-2)21(13-16)31-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,28)
InChIKeyKTBZMCIGXQZEML-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.31
Rot. Bonds8

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

N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885434) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885434
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-15-6-8-17(14-18(15)24)25-22(28)5-4-12-27-23(29)11-9-19(26-27)16-7-10-20(30-2)21(13-16)31-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,28)
InChIKeyKTBZMCIGXQZEML-UHFFFAOYSA-N
XLogP4.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885406
N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885370
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
CID 16885465
N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 16800204
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
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-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 16885460
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)butanamide
CID 16885379
N-(3,5-dichlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376369
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 52899588

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885434) is N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is KTBZMCIGXQZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-15-6-8-17(14-18(15)24)25-22(28)5-4-12-27-23(29)11-9-19(26-27)16-7-10-20(30-2)21(13-16)31-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 441.92 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).