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

C19H27N3O2 — CID 46373704

IUPACN-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCCCNC(=O)CCN1N=C(c2ccc(CC)cc2)CCC1=O
InChIInChI=1S/C19H27N3O2/c1-3-5-13-20-18(23)12-14-22-19(24)11-10-17(21-22)16-8-6-15(4-2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,20,23)
InChIKeyHMBRHJAWLQKSJE-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.88
Rot. Bonds8

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

N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 46373704) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID46373704
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCCCNC(=O)CCN1N=C(c2ccc(CC)cc2)CCC1=O
InChIInChI=1S/C19H27N3O2/c1-3-5-13-20-18(23)12-14-22-19(24)11-10-17(21-22)16-8-6-15(4-2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,20,23)
InChIKeyHMBRHJAWLQKSJE-UHFFFAOYSA-N
XLogP2.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
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-azepan-1-ylpropyl)-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3241002
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 46373704) is N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is CCCCNC(=O)CCN1N=C(c2ccc(CC)cc2)CCC1=O.
What is the InChIKey of N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is HMBRHJAWLQKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-5-13-20-18(23)12-14-22-19(24)11-10-17(21-22)16-8-6-15(4-2)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 46373704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).