6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide

C26H32N6O2 — CID 154598923

About 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide

6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide (PubChem CID 154598923) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide.

Molecular Properties

• Compound Name: 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide
• PubChem CID: 154598923
• Molecular Formula: C26H32N6O2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.26
• IUPAC Name: 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide
• SMILES: CNC(=O)c1ccc2cc(-c3ccc(N(C)C4C[C@]5(C)CCC[C@](C)(C4)N5)nn3)c(O)cc2n1
• InChI: InChI=1S/C26H32N6O2/c1-25-10-5-11-26(2,31-25)15-17(14-25)32(4)23-9-8-19(29-30-23)18-12-16-6-7-20(24(34)27-3)28-21(16)13-22(18)33/h6-9,12-13,17,31,33H,5,10-11,14-15H2,1-4H3,(H,27,34)/t17?,25-,26+
• InChIKey: MQHNHAMBPHTWAM-SOMFESITSA-N
• XLogP: 3.65
• TPSA: 103.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide?

The IUPAC name of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide (CID 154598923) is 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide.

What is the SMILES notation for 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide?

The canonical SMILES for 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide is CNC(=O)c1ccc2cc(-c3ccc(N(C)C4C[C@]5(C)CCC[C@](C)(C4)N5)nn3)c(O)cc2n1.

What is the InChIKey of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide?

The InChIKey is MQHNHAMBPHTWAM-SOMFESITSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-25-10-5-11-26(2,31-25)15-17(14-25)32(4)23-9-8-19(29-30-23)18-12-16-6-7-20(24(34)27-3)28-21(16)13-22(18)33/h6-9,12-13,17,31,33H,5,10-11,14-15H2,1-4H3,(H,27,34)/t17?,25-,26+.

What are the key properties of 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide?

6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 154598923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).