2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C18H18N4O2S — CID 121076759

IUPAC2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cccnc1NC(=O)C(C)(C)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H18N4O2S/c1-12-6-4-10-19-16(12)20-17(24)18(2,3)22-15(23)9-8-13(21-22)14-7-5-11-25-14/h4-11H,1-3H3,(H,19,20,24)
InChIKeyFLJKLIFOZAHTFK-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121076759) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID121076759
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cccnc1NC(=O)C(C)(C)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H18N4O2S/c1-12-6-4-10-19-16(12)20-17(24)18(2,3)22-15(23)9-8-13(21-22)14-7-5-11-25-14/h4-11H,1-3H3,(H,19,20,24)
InChIKeyFLJKLIFOZAHTFK-UHFFFAOYSA-N
XLogP3.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-(3-methyl-2-pyridinyl)-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-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076950
2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076958
N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076772
2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 121076871
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076845
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076846
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076808
2-[2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076895
2-[1-(4-benzhydrylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076854
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121076759) is 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is Cc1cccnc1NC(=O)C(C)(C)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is FLJKLIFOZAHTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-6-4-10-19-16(12)20-17(24)18(2,3)22-15(23)9-8-13(21-22)14-7-5-11-25-14/h4-11H,1-3H3,(H,19,20,24).
What are the key properties of 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 354.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121076759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).