[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

C20H25N3O3 — CID 131662070

IUPAC[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCN(Cc1ccco1)C1COC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C20H25N3O3/c1-22(14-18-3-2-12-25-18)17-13-20(26-15-17)6-10-23(11-7-20)19(24)16-4-8-21-9-5-16/h2-5,8-9,12,17H,6-7,10-11,13-15H2,1H3
InChIKeyUVUNJTSQZMMIMD-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.57
Rot. Bonds4

About [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (PubChem CID 131662070) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
PubChem CID131662070
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCN(Cc1ccco1)C1COC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C20H25N3O3/c1-22(14-18-3-2-12-25-18)17-13-20(26-15-17)6-10-23(11-7-20)19(24)16-4-8-21-9-5-16/h2-5,8-9,12,17H,6-7,10-11,13-15H2,1H3
InChIKeyUVUNJTSQZMMIMD-UHFFFAOYSA-N
XLogP2.57
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171686108
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450643
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131649158
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97450634
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371380
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847839
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
CID 97374844
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371394
furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385590
N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155831585

Frequently Asked Questions

What is the IUPAC name of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (CID 131662070) is [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is CN(Cc1ccco1)C1COC2(CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The InChIKey is UVUNJTSQZMMIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22(14-18-3-2-12-25-18)17-13-20(26-15-17)6-10-23(11-7-20)19(24)16-4-8-21-9-5-16/h2-5,8-9,12,17H,6-7,10-11,13-15H2,1H3.
What are the key properties of [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone has a molecular weight of 355.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 131662070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).