5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C19H25N5O2 — CID 70761775

About 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70761775) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
• PubChem CID: 70761775
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
• SMILES: Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCN(C2CN3CCC2CC3)CC1
• InChI: InChI=1S/C19H25N5O2/c1-13-16(10-15(11-20)18(25)21-13)19(26)24-8-6-23(7-9-24)17-12-22-4-2-14(17)3-5-22/h10,14,17H,2-9,12H2,1H3,(H,21,25)
• InChIKey: JQSPHJNJWIFIOY-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 83.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The IUPAC name of 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70761775) is 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The canonical SMILES for 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCN(C2CN3CCC2CC3)CC1.

What is the InChIKey of 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The InChIKey is JQSPHJNJWIFIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-16(10-15(11-20)18(25)21-13)19(26)24-8-6-23(7-9-24)17-12-22-4-2-14(17)3-5-22/h10,14,17H,2-9,12H2,1H3,(H,21,25).

What are the key properties of 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70761775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).