1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide

C31H36N4O4 — CID 70652086

About 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide

1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide (PubChem CID 70652086) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide
• PubChem CID: 70652086
• Molecular Formula: C31H36N4O4
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.27
• IUPAC Name: 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide
• SMILES: CNC(=O)C1(c2ccc(-c3ccc([C@H](C)N4CC[C@](CC(C)(C)O)(c5ccccc5)OC4=O)cc3)nn2)CC1
• InChI: InChI=1S/C31H36N4O4/c1-21(35-19-18-31(39-28(35)37,20-29(2,3)38)24-8-6-5-7-9-24)22-10-12-23(13-11-22)25-14-15-26(34-33-25)30(16-17-30)27(36)32-4/h5-15,21,38H,16-20H2,1-4H3,(H,32,36)/t21-,31-/m0/s1
• InChIKey: FMCWBYLXFSYNKH-BGOLNKOXSA-N
• XLogP: 4.88
• TPSA: 104.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide?

The IUPAC name of 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide (CID 70652086) is 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(c2ccc(-c3ccc([C@H](C)N4CC[C@](CC(C)(C)O)(c5ccccc5)OC4=O)cc3)nn2)CC1.

What is the InChIKey of 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide?

The InChIKey is FMCWBYLXFSYNKH-BGOLNKOXSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-21(35-19-18-31(39-28(35)37,20-29(2,3)38)24-8-6-5-7-9-24)22-10-12-23(13-11-22)25-14-15-26(34-33-25)30(16-17-30)27(36)32-4/h5-15,21,38H,16-20H2,1-4H3,(H,32,36)/t21-,31-/m0/s1.

What are the key properties of 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide?

1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 528.65 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazin-3-yl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 70652086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).