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

C28H27N3O5 — CID 16885465

IUPAC4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C28H27N3O5/c1-34-25-16-10-20(19-26(25)35-2)24-15-17-28(33)31(30-24)18-6-9-27(32)29-21-11-13-23(14-12-21)36-22-7-4-3-5-8-22/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3,(H,29,32)
InChIKeyQJKALOHPJJZULU-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.14
Rot. Bonds10

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

4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide (PubChem CID 16885465) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
PubChem CID16885465
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C28H27N3O5/c1-34-25-16-10-20(19-26(25)35-2)24-15-17-28(33)31(30-24)18-6-9-27(32)29-21-11-13-23(14-12-21)36-22-7-4-3-5-8-22/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3,(H,29,32)
InChIKeyQJKALOHPJJZULU-UHFFFAOYSA-N
XLogP5.14
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885370
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885406
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-nitrophenyl)butanamide
CID 16885379
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-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16885474
4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)butanamide
CID 16885226
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
N-(4-butylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885261
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide (CID 16885465) is 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide?
The InChIKey is QJKALOHPJJZULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-34-25-16-10-20(19-26(25)35-2)24-15-17-28(33)31(30-24)18-6-9-27(32)29-21-11-13-23(14-12-21)36-22-7-4-3-5-8-22/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3,(H,29,32).
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide?
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide has a molecular weight of 485.54 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 16885465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).