1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C26H32N4O3 — CID 60535369

About 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60535369) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
• PubChem CID: 60535369
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)N2CCOCC2)cc1
• InChI: InChI=1S/C26H32N4O3/c1-18-5-8-21(9-6-18)24(29-12-14-33-15-13-29)17-27-26(32)22-10-11-25(31)30(28-22)23-16-19(2)4-7-20(23)3/h4-9,16,24H,10-15,17H2,1-3H3,(H,27,32)
• InChIKey: HDUUKVSJWKDASU-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60535369) is 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

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

The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C(CNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)N2CCOCC2)cc1.

What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?

The InChIKey is HDUUKVSJWKDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18-5-8-21(9-6-18)24(29-12-14-33-15-13-29)17-27-26(32)22-10-11-25(31)30(28-22)23-16-19(2)4-7-20(23)3/h4-9,16,24H,10-15,17H2,1-3H3,(H,27,32).

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

1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60535369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).