N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide

C28H27N3O3 — CID 16885143

IUPACN-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)N(Cc3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H27N3O3/c1-34-25-16-14-23(15-17-25)26-18-19-28(33)31(29-26)20-8-13-27(32)30(24-11-6-3-7-12-24)21-22-9-4-2-5-10-22/h2-7,9-12,14-19H,8,13,20-21H2,1H3
InChIKeyOYNMXQCACPQECG-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.93
Rot. Bonds9

About N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide

N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide (PubChem CID 16885143) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
PubChem CID16885143
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC NameN-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)N(Cc3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H27N3O3/c1-34-25-16-14-23(15-17-25)26-18-19-28(33)31(29-26)20-8-13-27(32)30(24-11-6-3-7-12-24)21-22-9-4-2-5-10-22/h2-7,9-12,14-19H,8,13,20-21H2,1H3
InChIKeyOYNMXQCACPQECG-UHFFFAOYSA-N
XLogP4.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16885034
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885126
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 55385096
2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885167
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
The IUPAC name of N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide (CID 16885143) is N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide.
What is the SMILES notation for N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
The canonical SMILES for N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)N(Cc3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
The InChIKey is OYNMXQCACPQECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-34-25-16-14-23(15-17-25)26-18-19-28(33)31(29-26)20-8-13-27(32)30(24-11-6-3-7-12-24)21-22-9-4-2-5-10-22/h2-7,9-12,14-19H,8,13,20-21H2,1H3.
What are the key properties of N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide has a molecular weight of 453.54 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide is sourced from PubChem (CID 16885143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).