pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C19H23N5O2 — CID 134072843

About pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 134072843) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

• Compound Name: pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
• PubChem CID: 134072843
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
• SMILES: O=C(c1cccnc1)N1CCCC2(COCCN(c3ncccn3)C2)C1
• InChI: InChI=1S/C19H23N5O2/c25-17(16-4-1-6-20-12-16)23-9-2-5-19(13-23)14-24(10-11-26-15-19)18-21-7-3-8-22-18/h1,3-4,6-8,12H,2,5,9-11,13-15H2
• InChIKey: AWRFASSBRJYLMJ-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

The IUPAC name of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 134072843) is pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

What is the SMILES notation for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

The canonical SMILES for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is O=C(c1cccnc1)N1CCCC2(COCCN(c3ncccn3)C2)C1.

What is the InChIKey of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

The InChIKey is AWRFASSBRJYLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(16-4-1-6-20-12-16)23-9-2-5-19(13-23)14-24(10-11-26-15-19)18-21-7-3-8-22-18/h1,3-4,6-8,12H,2,5,9-11,13-15H2.

What are the key properties of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?

pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 353.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 134072843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).