N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide

C22H23N3O2 — CID 16885772

IUPACN-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-17-10-12-18(13-11-17)20-14-15-22(27)25(23-20)16-6-9-21(26)24(2)19-7-4-3-5-8-19/h3-5,7-8,10-15H,6,9,16H2,1-2H3
InChIKeyJJXAMONQEACBNO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds6

About N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide

N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide (PubChem CID 16885772) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
PubChem CID16885772
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-17-10-12-18(13-11-17)20-14-15-22(27)25(23-20)16-6-9-21(26)24(2)19-7-4-3-5-8-19/h3-5,7-8,10-15H,6,9,16H2,1-2H3
InChIKeyJJXAMONQEACBNO-UHFFFAOYSA-N
XLogP3.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885143
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 16885757
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884527
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
The IUPAC name of N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide (CID 16885772) is N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide.
What is the SMILES notation for N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
The canonical SMILES for N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide is Cc1ccc(-c2ccc(=O)n(CCCC(=O)N(C)c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
The InChIKey is JJXAMONQEACBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17-10-12-18(13-11-17)20-14-15-22(27)25(23-20)16-6-9-21(26)24(2)19-7-4-3-5-8-19/h3-5,7-8,10-15H,6,9,16H2,1-2H3.
What are the key properties of N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide?
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide is sourced from PubChem (CID 16885772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).