4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide

C23H25N3O2 — CID 16885773

IUPAC4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-10-12-20(13-11-17)21-14-15-23(28)26(25-21)16-6-9-22(27)24-18(2)19-7-4-3-5-8-19/h3-5,7-8,10-15,18H,6,9,16H2,1-2H3,(H,24,27)
InChIKeyMNEOIXCXDYRWKZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.88
Rot. Bonds7

About 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide

4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide (PubChem CID 16885773) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
PubChem CID16885773
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-10-12-20(13-11-17)21-14-15-23(28)26(25-21)16-6-9-22(27)24-18(2)19-7-4-3-5-8-19/h3-5,7-8,10-15,18H,6,9,16H2,1-2H3,(H,24,27)
InChIKeyMNEOIXCXDYRWKZ-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 16885757
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
3-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
CID 51366015
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732
N-(3-methyl-1,2-oxazol-5-yl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885784
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide (CID 16885773) is 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide is Cc1ccc(-c2ccc(=O)n(CCCC(=O)NC(C)c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
The InChIKey is MNEOIXCXDYRWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-10-12-20(13-11-17)21-14-15-23(28)26(25-21)16-6-9-22(27)24-18(2)19-7-4-3-5-8-19/h3-5,7-8,10-15,18H,6,9,16H2,1-2H3,(H,24,27).
What are the key properties of 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide has a molecular weight of 375.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 16885773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).