2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile

C16H20N6O — CID 95599853

About 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile

2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 95599853) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile
• PubChem CID: 95599853
• Molecular Formula: C16H20N6O
• Molecular Weight: 312.38 g/mol
• Exact Mass: 312.17
• IUPAC Name: 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile
• SMILES: Cc1nc(CN2CCC[C@H](N(C)c3ncccc3C#N)C2)no1
• InChI: InChI=1S/C16H20N6O/c1-12-19-15(20-23-12)11-22-8-4-6-14(10-22)21(2)16-13(9-17)5-3-7-18-16/h3,5,7,14H,4,6,8,10-11H2,1-2H3/t14-/m0/s1
• InChIKey: WAYNWPYQIUOBNH-AWEZNQCLSA-N
• XLogP: 1.75
• TPSA: 82.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.38
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile?

The IUPAC name of 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile (CID 95599853) is 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile is Cc1nc(CN2CCC[C@H](N(C)c3ncccc3C#N)C2)no1.

What is the InChIKey of 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile?

The InChIKey is WAYNWPYQIUOBNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-19-15(20-23-12)11-22-8-4-6-14(10-22)21(2)16-13(9-17)5-3-7-18-16/h3,5,7,14H,4,6,8,10-11H2,1-2H3/t14-/m0/s1.

What are the key properties of 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile?

2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 312.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 95599853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).