(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C20H23N3O3 — CID 97419197

IUPAC(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)C[C@H](Oc2ccccn2)CO3)cn1
InChIInChI=1S/C20H23N3O3/c1-15-5-6-16(13-22-15)19(24)23-10-7-20(8-11-23)12-17(14-25-20)26-18-4-2-3-9-21-18/h2-6,9,13,17H,7-8,10-12,14H2,1H3/t17-/m0/s1
InChIKeyKEYZDDPBVGYTRQ-KRWDZBQOSA-N
MW353.42 g/mol
LogP2.63
Rot. Bonds3

About (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97419197) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97419197
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)C[C@H](Oc2ccccn2)CO3)cn1
InChIInChI=1S/C20H23N3O3/c1-15-5-6-16(13-22-15)19(24)23-10-7-20(8-11-23)12-17(14-25-20)26-18-4-2-3-9-21-18/h2-6,9,13,17H,7-8,10-12,14H2,1H3/t17-/m0/s1
InChIKeyKEYZDDPBVGYTRQ-KRWDZBQOSA-N
XLogP2.63
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

(5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419880
[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97419194
phenyl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850390
[(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97420069
[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97419892
(3-methylthiophen-2-yl)-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837829
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040
(4-methyl-1,3-oxazol-5-yl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419782
formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 155858200
1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97419217
2-pyridin-2-yl-1-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746938
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97419197) is (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](Oc2ccccn2)CO3)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is KEYZDDPBVGYTRQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-5-6-16(13-22-15)19(24)23-10-7-20(8-11-23)12-17(14-25-20)26-18-4-2-3-9-21-18/h2-6,9,13,17H,7-8,10-12,14H2,1H3/t17-/m0/s1.
What are the key properties of (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97419197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).