N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H27FN4O2 — CID 43007309

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 43007309) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
• PubChem CID: 43007309
• Molecular Formula: C23H27FN4O2
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.21
• IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
• SMILES: Cc1ccc(C)c(N2N=C(C(=O)NCC(c3cccc(F)c3)N(C)C)CCC2=O)c1
• InChI: InChI=1S/C23H27FN4O2/c1-15-8-9-16(2)20(12-15)28-22(29)11-10-19(26-28)23(30)25-14-21(27(3)4)17-6-5-7-18(24)13-17/h5-9,12-13,21H,10-11,14H2,1-4H3,(H,25,30)
• InChIKey: GILUQNBVMIYLIE-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?

The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 43007309) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)NCC(c3cccc(F)c3)N(C)C)CCC2=O)c1.

What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?

The InChIKey is GILUQNBVMIYLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15-8-9-16(2)20(12-15)28-22(29)11-10-19(26-28)23(30)25-14-21(27(3)4)17-6-5-7-18(24)13-17/h5-9,12-13,21H,10-11,14H2,1-4H3,(H,25,30).

What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 43007309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).