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

C19H27N3O2 — CID 12005450

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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