2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide

C14H17N3O2 — CID 70459912

IUPAC2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide
SMILESCC1(C)CC(c2ccc(CC(N)=O)cc2)=NNC1=O
InChIInChI=1S/C14H17N3O2/c1-14(2)8-11(16-17-13(14)19)10-5-3-9(4-6-10)7-12(15)18/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyMQPLHMHZSMQSGF-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds3

About 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide

2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide (PubChem CID 70459912) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide
PubChem CID70459912
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide
SMILESCC1(C)CC(c2ccc(CC(N)=O)cc2)=NNC1=O
InChIInChI=1S/C14H17N3O2/c1-14(2)8-11(16-17-13(14)19)10-5-3-9(4-6-10)7-12(15)18/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyMQPLHMHZSMQSGF-UHFFFAOYSA-N
XLogP0.96
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide (CID 70459912) is 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide is CC1(C)CC(c2ccc(CC(N)=O)cc2)=NNC1=O.
What is the InChIKey of 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide?
The InChIKey is MQPLHMHZSMQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2)8-11(16-17-13(14)19)10-5-3-9(4-6-10)7-12(15)18/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide?
2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 70459912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).