2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide

C24H25N3O7 — CID 108790601

About 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide

2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide (PubChem CID 108790601) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide
• PubChem CID: 108790601
• Molecular Formula: C24H25N3O7
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.17
• IUPAC Name: 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide
• SMILES: Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC2C(O)O[C@H](CO)C(O)[C@@H]2O)c1=O
• InChI: InChI=1S/C24H25N3O7/c1-27-23(32)17(22(31)25-19-21(30)20(29)15(12-28)34-24(19)33)16(13-8-4-2-5-9-13)18(26-27)14-10-6-3-7-11-14/h2-11,15,19-21,24,28-30,33H,12H2,1H3,(H,25,31)/t15-,19?,20?,21-,24?/m1/s1
• InChIKey: IKIOEFLRTKAXRN-HPOJOQPXSA-N
• XLogP: -0.36
• TPSA: 154.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	-0.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide?

The IUPAC name of 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide (CID 108790601) is 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide.

What is the SMILES notation for 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide?

The canonical SMILES for 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide is Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC2C(O)O[C@H](CO)C(O)[C@@H]2O)c1=O.

What is the InChIKey of 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide?

The InChIKey is IKIOEFLRTKAXRN-HPOJOQPXSA-N. The full InChI is InChI=1S/C24H25N3O7/c1-27-23(32)17(22(31)25-19-21(30)20(29)15(12-28)34-24(19)33)16(13-8-4-2-5-9-13)18(26-27)14-10-6-3-7-11-14/h2-11,15,19-21,24,28-30,33H,12H2,1H3,(H,25,31)/t15-,19?,20?,21-,24?/m1/s1.

What are the key properties of 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide?

2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide has a molecular weight of 467.48 g/mol, XLogP of -0.36, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-oxo-5,6-diphenyl-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 108790601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).