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

C22H23N3O2 — CID 16884468

IUPACN-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCc1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1C
InChIInChI=1S/C22H23N3O2/c1-16-10-11-19(15-17(16)2)23-21(26)9-6-14-25-22(27)13-12-20(24-25)18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,23,26)
InChIKeyMAAPVLXQCKZOMJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.95
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 16884468) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID16884468
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCc1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1C
InChIInChI=1S/C22H23N3O2/c1-16-10-11-19(15-17(16)2)23-21(26)9-6-14-25-22(27)13-12-20(24-25)18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,23,26)
InChIKeyMAAPVLXQCKZOMJ-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885434
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
CID 16885465
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 16884468) is N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is Cc1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is MAAPVLXQCKZOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-10-11-19(15-17(16)2)23-21(26)9-6-14-25-22(27)13-12-20(24-25)18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 361.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 16884468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).