2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide

C24H27N5O3 — CID 122277442

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide (PubChem CID 122277442) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide
• PubChem CID: 122277442
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide
• SMILES: Cc1ccc(-c2ccc(=O)n(C(C)C(=O)NCCn3nc4c(cc3=O)CCCC4)n2)cc1
• InChI: InChI=1S/C24H27N5O3/c1-16-7-9-18(10-8-16)21-11-12-22(30)29(27-21)17(2)24(32)25-13-14-28-23(31)15-19-5-3-4-6-20(19)26-28/h7-12,15,17H,3-6,13-14H2,1-2H3,(H,25,32)
• InChIKey: IASUYNJQDCAXLR-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide?

The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide (CID 122277442) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide.

What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide?

The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide is Cc1ccc(-c2ccc(=O)n(C(C)C(=O)NCCn3nc4c(cc3=O)CCCC4)n2)cc1.

What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide?

The InChIKey is IASUYNJQDCAXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-7-9-18(10-8-16)21-11-12-22(30)29(27-21)17(2)24(32)25-13-14-28-23(31)15-19-5-3-4-6-20(19)26-28/h7-12,15,17H,3-6,13-14H2,1-2H3,(H,25,32).

What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide?

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide has a molecular weight of 433.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]propanamide is sourced from PubChem (CID 122277442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).