3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide

C13H13N3O3 — CID 40688091

IUPAC3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
SMILESO=C(CCn1[nH]c(=O)ccc1=O)Nc1ccccc1
InChIInChI=1S/C13H13N3O3/c17-11(14-10-4-2-1-3-5-10)8-9-16-13(19)7-6-12(18)15-16/h1-7H,8-9H2,(H,14,17)(H,15,18)
InChIKeyNZVQDNXOLRDOJJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.57
Rot. Bonds4

About 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide

3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide (PubChem CID 40688091) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
PubChem CID40688091
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
SMILESO=C(CCn1[nH]c(=O)ccc1=O)Nc1ccccc1
InChIInChI=1S/C13H13N3O3/c17-11(14-10-4-2-1-3-5-10)8-9-16-13(19)7-6-12(18)15-16/h1-7H,8-9H2,(H,14,17)(H,15,18)
InChIKeyNZVQDNXOLRDOJJ-UHFFFAOYSA-N
XLogP0.57
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-iodophenyl)propanamide
CID 40688096
N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 16790022
N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide
CID 43824263
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 4840413
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 30855514
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide
CID 3750355
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
3-fluoro-N-phenylpropanamide
CID 70366284
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 9467923
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide?
The IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide (CID 40688091) is 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide is O=C(CCn1[nH]c(=O)ccc1=O)Nc1ccccc1.
What is the InChIKey of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide?
The InChIKey is NZVQDNXOLRDOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-11(14-10-4-2-1-3-5-10)8-9-16-13(19)7-6-12(18)15-16/h1-7H,8-9H2,(H,14,17)(H,15,18).
What are the key properties of 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide?
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide has a molecular weight of 259.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 40688091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).