N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

C23H24N6O6S — CID 169147079

About N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (PubChem CID 169147079) has the molecular formula C23H24N6O6S and a molecular weight of 512.55 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
• PubChem CID: 169147079
• Molecular Formula: C23H24N6O6S
• Molecular Weight: 512.55 g/mol
• Exact Mass: 512.15
• IUPAC Name: N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
• SMILES: CON(C)S(=O)(=O)C1(COc2nncc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
• InChI: InChI=1S/C23H24N6O6S/c1-28-19-17(10-18(22(28)31)20(30)25-12-16-6-4-15(11-24)5-7-16)13-26-27-21(19)35-14-23(8-9-23)36(32,33)29(2)34-3/h4-7,10,13H,8-9,12,14H2,1-3H3,(H,25,30)
• InChIKey: CUYPNXSZJGCYSV-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 156.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.55
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

The IUPAC name of N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (CID 169147079) is N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

The canonical SMILES for N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is CON(C)S(=O)(=O)C1(COc2nncc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1.

What is the InChIKey of N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

The InChIKey is CUYPNXSZJGCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O6S/c1-28-19-17(10-18(22(28)31)20(30)25-12-16-6-4-15(11-24)5-7-16)13-26-27-21(19)35-14-23(8-9-23)36(32,33)29(2)34-3/h4-7,10,13H,8-9,12,14H2,1-3H3,(H,25,30).

What are the key properties of N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?

N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide has a molecular weight of 512.55 g/mol, XLogP of 0.86, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is sourced from PubChem (CID 169147079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).