3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one

C17H24N2O3 — CID 121494382

IUPAC3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCOC1[C@@H]2CC[C@H]1CN(C(=O)c1c(C)c(C)c(C)[nH]c1=O)C2
InChIInChI=1S/C17H24N2O3/c1-9-10(2)14(16(20)18-11(9)3)17(21)19-7-12-5-6-13(8-19)15(12)22-4/h12-13,15H,5-8H2,1-4H3,(H,18,20)/t12-,13+,15?
InChIKeyIRINQUQZBSBYDR-NNQSOWQGSA-N
MW304.39 g/mol
LogP1.80
Rot. Bonds2

About 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one

3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one (PubChem CID 121494382) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
PubChem CID121494382
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCOC1[C@@H]2CC[C@H]1CN(C(=O)c1c(C)c(C)c(C)[nH]c1=O)C2
InChIInChI=1S/C17H24N2O3/c1-9-10(2)14(16(20)18-11(9)3)17(21)19-7-12-5-6-13(8-19)15(12)22-4/h12-13,15H,5-8H2,1-4H3,(H,18,20)/t12-,13+,15?
InChIKeyIRINQUQZBSBYDR-NNQSOWQGSA-N
XLogP1.80
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 121495469
3-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazine-1-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
CID 126451376
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CID 99818989
tert-butyl 2-(5-chloro-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 71171786
4,5,6-trimethyl-3-[4-(oxolane-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 134699227
4-(3,4-dimethoxypyrrolidine-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 103536826
4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91830233
5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 137052388
3-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decane-4-carbonyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
CID 56874518
[(3aS,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 110126454
1-[4-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone
CID 138810698
5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 74247889

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one (CID 121494382) is 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one is COC1[C@@H]2CC[C@H]1CN(C(=O)c1c(C)c(C)c(C)[nH]c1=O)C2.
What is the InChIKey of 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one?
The InChIKey is IRINQUQZBSBYDR-NNQSOWQGSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-9-10(2)14(16(20)18-11(9)3)17(21)19-7-12-5-6-13(8-19)15(12)22-4/h12-13,15H,5-8H2,1-4H3,(H,18,20)/t12-,13+,15?.
What are the key properties of 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one?
3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one is sourced from PubChem (CID 121494382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).