N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

C16H17N3O3 — CID 18165241

IUPACN-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1=O
InChIInChI=1S/C16H17N3O3/c1-3-10-19-15(21)9-8-14(18-19)16(22)17-13-6-4-12(5-7-13)11(2)20/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyZQUBXSIUSJHYAW-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.11
Rot. Bonds5

About N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18165241) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18165241
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1=O
InChIInChI=1S/C16H17N3O3/c1-3-10-19-15(21)9-8-14(18-19)16(22)17-13-6-4-12(5-7-13)11(2)20/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyZQUBXSIUSJHYAW-UHFFFAOYSA-N
XLogP2.11
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide 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 N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 18165241) is N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1=O.
What is the InChIKey of N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ZQUBXSIUSJHYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-10-19-15(21)9-8-14(18-19)16(22)17-13-6-4-12(5-7-13)11(2)20/h4-9H,3,10H2,1-2H3,(H,17,22).
What are the key properties of N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18165241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).