6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile

C19H27N5O2 — CID 97494759

About 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile

6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile (PubChem CID 97494759) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
• PubChem CID: 97494759
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
• SMILES: CN(C)CC(=O)N1CCC[C@]2(COCCN(c3cccc(C#N)n3)C2)C1
• InChI: InChI=1S/C19H27N5O2/c1-22(2)12-18(25)24-8-4-7-19(14-24)13-23(9-10-26-15-19)17-6-3-5-16(11-20)21-17/h3,5-6H,4,7-10,12-15H2,1-2H3/t19-/m1/s1
• InChIKey: PJIWESWGWHKOON-LJQANCHMSA-N
• XLogP: 0.96
• TPSA: 72.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile (CID 97494759) is 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile is CN(C)CC(=O)N1CCC[C@]2(COCCN(c3cccc(C#N)n3)C2)C1.

What is the InChIKey of 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile?

The InChIKey is PJIWESWGWHKOON-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22(2)12-18(25)24-8-4-7-19(14-24)13-23(9-10-26-15-19)17-6-3-5-16(11-20)21-17/h3,5-6H,4,7-10,12-15H2,1-2H3/t19-/m1/s1.

What are the key properties of 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile?

6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6R)-2-[2-(dimethylamino)acetyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 97494759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).