N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C21H21N3O3 — CID 16884439

IUPACN-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-27-18-11-9-17(10-12-18)22-20(25)8-5-15-24-21(26)14-13-19(23-24)16-6-3-2-4-7-16/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,22,25)
InChIKeyIWZIBLFKBNRYQO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.34
Rot. Bonds7

About N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 16884439) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID16884439
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-27-18-11-9-17(10-12-18)22-20(25)8-5-15-24-21(26)14-13-19(23-24)16-6-3-2-4-7-16/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,22,25)
InChIKeyIWZIBLFKBNRYQO-UHFFFAOYSA-N
XLogP3.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
CID 16885465
2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885167
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)butanamide
CID 16885226
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
N-(4-butylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885261
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885211

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 16884439) is N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is COc1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is IWZIBLFKBNRYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-18-11-9-17(10-12-18)22-20(25)8-5-15-24-21(26)14-13-19(23-24)16-6-3-2-4-7-16/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,22,25).
What are the key properties of N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 363.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 16884439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).