N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C23H25N3O3 — CID 16885266

IUPACN-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)cc3C)n2)c1
InChIInChI=1S/C23H25N3O3/c1-16-9-10-20(17(2)14-16)24-22(27)8-5-13-26-23(28)12-11-21(25-26)18-6-4-7-19(15-18)29-3/h4,6-7,9-12,14-15H,5,8,13H2,1-3H3,(H,24,27)
InChIKeyVDJRECPCWPKYRD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.95
Rot. Bonds7

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

N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885266) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885266
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)cc3C)n2)c1
InChIInChI=1S/C23H25N3O3/c1-16-9-10-20(17(2)14-16)24-22(27)8-5-13-26-23(28)12-11-21(25-26)18-6-4-7-19(15-18)29-3/h4,6-7,9-12,14-15H,5,8,13H2,1-3H3,(H,24,27)
InChIKeyVDJRECPCWPKYRD-UHFFFAOYSA-N
XLogP3.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885211
4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)butanamide
CID 16885226
N-(4-butylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885261
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182
N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093243
N-[(4-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885276
N-[(2-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885281
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-(2,4-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665589

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885266) is N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)cc3C)n2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is VDJRECPCWPKYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-9-10-20(17(2)14-16)24-22(27)8-5-13-26-23(28)12-11-21(25-26)18-6-4-7-19(15-18)29-3/h4,6-7,9-12,14-15H,5,8,13H2,1-3H3,(H,24,27).
What are the key properties of N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 391.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).