pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C19H21N3O3 — CID 97371619

About pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97371619) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

• Compound Name: pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• PubChem CID: 97371619
• Molecular Formula: C19H21N3O3
• Molecular Weight: 339.39 g/mol
• Exact Mass: 339.16
• IUPAC Name: pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• SMILES: O=C(c1ccccn1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
• InChI: InChI=1S/C19H21N3O3/c23-18(17-6-1-2-9-21-17)22-10-4-7-19(14-22)11-16(13-24-19)25-15-5-3-8-20-12-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2/t16-,19+/m0/s1
• InChIKey: RYQACGNPYAKVDC-QFBILLFUSA-N
• XLogP: 2.32
• TPSA: 64.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.39
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The IUPAC name of pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97371619) is pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

What is the SMILES notation for pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The canonical SMILES for pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(c1ccccn1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1.

What is the InChIKey of pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The InChIKey is RYQACGNPYAKVDC-QFBILLFUSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(17-6-1-2-9-21-17)22-10-4-7-19(14-22)11-16(13-24-19)25-15-5-3-8-20-12-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2/t16-,19+/m0/s1.

What are the key properties of pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 339.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97371619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).