2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide

C16H19N3O2 — CID 15995472

IUPAC2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C16H19N3O2/c1-3-10-17-15(20)11-19-16(21)9-8-14(18-19)13-6-4-12(2)5-7-13/h3-7H,1,8-11H2,2H3,(H,17,20)
InChIKeyPKMCCCXZURFPSL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.62
Rot. Bonds5

About 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide

2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 15995472) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide
PubChem CID15995472
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O
InChIInChI=1S/C16H19N3O2/c1-3-10-17-15(20)11-19-16(21)9-8-14(18-19)13-6-4-12(2)5-7-13/h3-7H,1,8-11H2,2H3,(H,17,20)
InChIKeyPKMCCCXZURFPSL-UHFFFAOYSA-N
XLogP1.62
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide (CID 15995472) is 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is PKMCCCXZURFPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-10-17-15(20)11-19-16(21)9-8-14(18-19)13-6-4-12(2)5-7-13/h3-7H,1,8-11H2,2H3,(H,17,20).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide?
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 285.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 15995472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).