N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C21H17N5O3S — CID 71805003

IUPACN-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccc(=O)[nH]n1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C21H17N5O3S/c1-13(26-20(28)11-9-17(25-26)18-7-4-12-30-18)21(29)22-15-6-3-2-5-14(15)16-8-10-19(27)24-23-16/h2-13H,1H3,(H,22,29)(H,24,27)
InChIKeyWYTJPDBESPBSOS-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 71805003) has the molecular formula C21H17N5O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID71805003
Molecular FormulaC21H17N5O3S
Molecular Weight419.47 g/mol
Exact Mass419.11
IUPAC NameN-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccc(=O)[nH]n1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C21H17N5O3S/c1-13(26-20(28)11-9-17(25-26)18-7-4-12-30-18)21(29)22-15-6-3-2-5-14(15)16-8-10-19(27)24-23-16/h2-13H,1H3,(H,22,29)(H,24,27)
InChIKeyWYTJPDBESPBSOS-UHFFFAOYSA-N
XLogP2.92
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide 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

N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)acetamide
CID 6499071
N-(2,3-Dimethyl-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499073
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 3224436
N-[3-(N-acetylethanehydrazonoyl)phenyl]-2-thiophenecarboxamide
CID 9616053
N-(4-{N-[amino(oxo)acetyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 9658238
N-(4-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 16017236
1,1-diketo-2-methyl-N-(p-tolyl)-5-(2-thienyl)-1,2,6-thiadiazine-3-carboxamide
CID 16017256
N-(2,3-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926904
N-(2,6-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926905
N-(2-Ethylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926924
N-(4-methylphenyl)-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)methanesulfonamide
CID 9676566
N-(2-Ethyl-6-methylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926914

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 71805003) is N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is CC(C(=O)Nc1ccccc1-c1ccc(=O)[nH]n1)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is WYTJPDBESPBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S/c1-13(26-20(28)11-9-17(25-26)18-7-4-12-30-18)21(29)22-15-6-3-2-5-14(15)16-8-10-19(27)24-23-16/h2-13H,1H3,(H,22,29)(H,24,27).
What are the key properties of N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 419.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 71805003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).