2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

C14H17N3O2 — CID 19884618

IUPAC2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCCC1CC(=O)NN=C1c1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H17N3O2/c1-2-10-8-13(19)16-17-14(10)11-5-3-9(4-6-11)7-12(15)18/h3-6,10H,2,7-8H2,1H3,(H2,15,18)(H,16,19)
InChIKeyFKNFGHJTHPYULN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds4

About 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 19884618) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID19884618
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCCC1CC(=O)NN=C1c1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H17N3O2/c1-2-10-8-13(19)16-17-14(10)11-5-3-9(4-6-11)7-12(15)18/h3-6,10H,2,7-8H2,1H3,(H2,15,18)(H,16,19)
InChIKeyFKNFGHJTHPYULN-UHFFFAOYSA-N
XLogP0.96
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 19884618) is 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is CCC1CC(=O)NN=C1c1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is FKNFGHJTHPYULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-10-8-13(19)16-17-14(10)11-5-3-9(4-6-11)7-12(15)18/h3-6,10H,2,7-8H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 19884618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).