N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C18H19N5O3S — CID 121119360

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121119360) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
• PubChem CID: 121119360
• Molecular Formula: C18H19N5O3S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.12
• IUPAC Name: N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
• SMILES: Cc1cc(=O)n(CCNC(=O)C(C)n2nc(-c3cccs3)ccc2=O)cn1
• InChI: InChI=1S/C18H19N5O3S/c1-12-10-17(25)22(11-20-12)8-7-19-18(26)13(2)23-16(24)6-5-14(21-23)15-4-3-9-27-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,19,26)
• InChIKey: UUJISSFHPYKREZ-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121119360) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is Cc1cc(=O)n(CCNC(=O)C(C)n2nc(-c3cccs3)ccc2=O)cn1.

What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

The InChIKey is UUJISSFHPYKREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12-10-17(25)22(11-20-12)8-7-19-18(26)13(2)23-16(24)6-5-14(21-23)15-4-3-9-27-15/h3-6,9-11,13H,7-8H2,1-2H3,(H,19,26).

What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 385.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121119360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).