N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide

C19H25N3O2 — CID 16885644

IUPACN-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C)NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C19H25N3O2/c1-4-15(3)20-18(23)6-5-13-22-19(24)12-11-17(21-22)16-9-7-14(2)8-10-16/h7-12,15H,4-6,13H2,1-3H3,(H,20,23)
InChIKeyXXSWUSZNGSBZPE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.91
Rot. Bonds7

About N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide

N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885644) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885644
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C)NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C19H25N3O2/c1-4-15(3)20-18(23)6-5-13-22-19(24)12-11-17(21-22)16-9-7-14(2)8-10-16/h7-12,15H,4-6,13H2,1-3H3,(H,20,23)
InChIKeyXXSWUSZNGSBZPE-UHFFFAOYSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
N-(3-methyl-1,2-oxazol-5-yl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885784
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885648
3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanethioamide
CID 15571568
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885644) is N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is CCC(C)NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is XXSWUSZNGSBZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-15(3)20-18(23)6-5-13-22-19(24)12-11-17(21-22)16-9-7-14(2)8-10-16/h7-12,15H,4-6,13H2,1-3H3,(H,20,23).
What are the key properties of N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide?
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).