N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C29H23N5O3 — CID 108744733

About N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108744733) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
• PubChem CID: 108744733
• Molecular Formula: C29H23N5O3
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.18
• IUPAC Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
• SMILES: Cc1cc(C)nc(Oc2cccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)n[nH]c3=O)c2)n1
• InChI: InChI=1S/C29H23N5O3/c1-18-16-19(2)31-29(30-18)37-23-15-9-14-22(17-23)32-27(35)25-24(20-10-5-3-6-11-20)26(33-34-28(25)36)21-12-7-4-8-13-21/h3-17H,1-2H3,(H,32,35)(H,34,36)
• InChIKey: MXSHSFXJRMQLSG-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?

The IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108744733) is N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?

The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is Cc1cc(C)nc(Oc2cccc(NC(=O)c3c(-c4ccccc4)c(-c4ccccc4)n[nH]c3=O)c2)n1.

What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?

The InChIKey is MXSHSFXJRMQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3/c1-18-16-19(2)31-29(30-18)37-23-15-9-14-22(17-23)32-27(35)25-24(20-10-5-3-6-11-20)26(33-34-28(25)36)21-12-7-4-8-13-21/h3-17H,1-2H3,(H,32,35)(H,34,36).

What are the key properties of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?

N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108744733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).