6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile

C19H22N6O — CID 134075017

About 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile

6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 134075017) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
• PubChem CID: 134075017
• Molecular Formula: C19H22N6O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
• SMILES: Cc1cnc(N2CCCC3(CC(Nc4cccc(C#N)n4)CO3)C2)nc1
• InChI: InChI=1S/C19H22N6O/c1-14-10-21-18(22-11-14)25-7-3-6-19(13-25)8-16(12-26-19)24-17-5-2-4-15(9-20)23-17/h2,4-5,10-11,16H,3,6-8,12-13H2,1H3,(H,23,24)
• InChIKey: DTORENRSRLHCBL-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 86.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?

The IUPAC name of 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile (CID 134075017) is 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?

The canonical SMILES for 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile is Cc1cnc(N2CCCC3(CC(Nc4cccc(C#N)n4)CO3)C2)nc1.

What is the InChIKey of 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?

The InChIKey is DTORENRSRLHCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-10-21-18(22-11-14)25-7-3-6-19(13-25)8-16(12-26-19)24-17-5-2-4-15(9-20)23-17/h2,4-5,10-11,16H,3,6-8,12-13H2,1H3,(H,23,24).

What are the key properties of 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?

6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134075017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).