N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide

C17H23N3O4 — CID 134078949

IUPACN-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCNC(=O)COC1COC2(CCCN(C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C17H23N3O4/c1-18-15(21)11-23-14-8-17(24-10-14)5-3-7-20(12-17)16(22)13-4-2-6-19-9-13/h2,4,6,9,14H,3,5,7-8,10-12H2,1H3,(H,18,21)
InChIKeyAMYBUBQAORDAGF-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.61
Rot. Bonds4

About N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide

N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide (PubChem CID 134078949) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
PubChem CID134078949
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCNC(=O)COC1COC2(CCCN(C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C17H23N3O4/c1-18-15(21)11-23-14-8-17(24-10-14)5-3-7-20(12-17)16(22)13-4-2-6-19-9-13/h2,4,6,9,14H,3,5,7-8,10-12H2,1H3,(H,18,21)
InChIKeyAMYBUBQAORDAGF-UHFFFAOYSA-N
XLogP0.61
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,5S)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489662
N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394260
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97419440
pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419504
(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97476687
furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488964
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The IUPAC name of N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide (CID 134078949) is N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide.
What is the SMILES notation for N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The canonical SMILES for N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide is CNC(=O)COC1COC2(CCCN(C(=O)c3cccnc3)C2)C1.
What is the InChIKey of N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The InChIKey is AMYBUBQAORDAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-18-15(21)11-23-14-8-17(24-10-14)5-3-7-20(12-17)16(22)13-4-2-6-19-9-13/h2,4,6,9,14H,3,5,7-8,10-12H2,1H3,(H,18,21).
What are the key properties of N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide is sourced from PubChem (CID 134078949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).