N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

C19H27N3O2 — CID 12005450

IUPACN-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCc1ccc(C2=NN(CCC(=O)NCCC(C)C)C(=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14(2)10-12-20-18(23)11-13-22-19(24)9-8-17(21-22)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,23)
InChIKeyASMLHFORQFUCJZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.87
Rot. Bonds7

About N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 12005450) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID12005450
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCc1ccc(C2=NN(CCC(=O)NCCC(C)C)C(=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14(2)10-12-20-18(23)11-13-22-19(24)9-8-17(21-22)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,23)
InChIKeyASMLHFORQFUCJZ-UHFFFAOYSA-N
XLogP2.87
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
N-cyclopentyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624453
N-cyclohexyl-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 9563176
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
2-allyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475372
N-butyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3239462
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3242957
N-{3-[butyl(methyl)amino]propyl}-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3243725
3-[3-(4-Methylphenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 4144039
N-{2-[butyl(methyl)amino]ethyl}-3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 4177567
2,2-Diphenyl-N-({N'-[(1E)-1-phenylethylidene]hydrazinecarbonyl}methyl)acetamide
CID 5339599

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 12005450) is N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is Cc1ccc(C2=NN(CCC(=O)NCCC(C)C)C(=O)CC2)cc1.
What is the InChIKey of N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is ASMLHFORQFUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)10-12-20-18(23)11-13-22-19(24)9-8-17(21-22)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,23).
What are the key properties of N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 12005450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).