N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

C24H21FN6O3 — CID 121101299

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (PubChem CID 121101299) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
• PubChem CID: 121101299
• Molecular Formula: C24H21FN6O3
• Molecular Weight: 460.47 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
• SMILES: CC(C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O)n1nc(-c2ccncc2)ccc1=O
• InChI: InChI=1S/C24H21FN6O3/c1-16(31-23(33)9-7-21(29-31)18-10-12-26-13-11-18)24(34)27-14-15-30-22(32)8-6-20(28-30)17-2-4-19(25)5-3-17/h2-13,16H,14-15H2,1H3,(H,27,34)
• InChIKey: BKELHOWMQSNYBP-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 111.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.47
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?

The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (CID 121101299) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.

What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?

The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is CC(C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O)n1nc(-c2ccncc2)ccc1=O.

What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?

The InChIKey is BKELHOWMQSNYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c1-16(31-23(33)9-7-21(29-31)18-10-12-26-13-11-18)24(34)27-14-15-30-22(32)8-6-20(28-30)17-2-4-19(25)5-3-17/h2-13,16H,14-15H2,1H3,(H,27,34).

What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide has a molecular weight of 460.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).