5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile

C17H20N6O — CID 170382205

About 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile

5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile (PubChem CID 170382205) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile
• PubChem CID: 170382205
• Molecular Formula: C17H20N6O
• Molecular Weight: 324.39 g/mol
• Exact Mass: 324.17
• IUPAC Name: 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile
• SMILES: Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ncc(C#N)cc1O
• InChI: InChI=1S/C17H20N6O/c1-11-6-15(20-13-4-3-5-23(2)10-13)21-22-16(11)17-14(24)7-12(8-18)9-19-17/h6-7,9,13,24H,3-5,10H2,1-2H3,(H,20,21)/t13-/m1/s1
• InChIKey: XXIHJEVHNIRZMU-CYBMUJFWSA-N
• XLogP: 1.93
• TPSA: 97.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.39
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile?

The IUPAC name of 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile (CID 170382205) is 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile?

The canonical SMILES for 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ncc(C#N)cc1O.

What is the InChIKey of 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile?

The InChIKey is XXIHJEVHNIRZMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-6-15(20-13-4-3-5-23(2)10-13)21-22-16(11)17-14(24)7-12(8-18)9-19-17/h6-7,9,13,24H,3-5,10H2,1-2H3,(H,20,21)/t13-/m1/s1.

What are the key properties of 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile?

5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 170382205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).