4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one

C19H22N2O4S — CID 67367085

IUPAC4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CC4CCC(C3)N4)cc2=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)18-6-4-15(5-7-18)21-9-8-16(12-19(21)22)25-17-10-13-2-3-14(11-17)20-13/h4-9,12-14,17,20H,2-3,10-11H2,1H3
InChIKeyDCSKCFZRCFAKIZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.90
Rot. Bonds4

About 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one

4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one (PubChem CID 67367085) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one
PubChem CID67367085
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CC4CCC(C3)N4)cc2=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)18-6-4-15(5-7-18)21-9-8-16(12-19(21)22)25-17-10-13-2-3-14(11-17)20-13/h4-9,12-14,17,20H,2-3,10-11H2,1H3
InChIKeyDCSKCFZRCFAKIZ-UHFFFAOYSA-N
XLogP1.90
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-2-oxo-1,2-dihydropyridin-4-yloxy)piperidine-1-carboxylate
CID 25138357
Tert-butyl 4-(1-(4-(methylsulfonyl)phenyl)-2-oxo-1,2-dihydropyridin-4-yloxy)piperidine-1-carboxylate
CID 25204174
propan-2-yl (1R,5R)-3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57550050
Propan-2-yl 3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 118715130
Propan-2-yl 3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 118715131
Propan-2-yl 4-[[1-(2-fluoro-4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 25204312
2,2,2-Trifluoroethyl 3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57468362
(1R,5R)-2,2,2-trifluoroethyl 3-(1-(4-(methylsulfonyl)phenyl)-2-oxo-1,2-dihydropyridin-4-yloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57550039
1,1,1-trifluoropropan-2-yl (1R,5R)-3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57550047
(1,1,1-trifluoro-2-methylpropan-2-yl) (1R,5R)-3-[1-(4-methylsulfonylphenyl)-2-oxopyridin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57550048
(1,3-difluoro-2-methylpropan-2-yl) (1R,5R)-3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57550071
5-Chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one
CID 58467949

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one (CID 67367085) is 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one is CS(=O)(=O)c1ccc(-n2ccc(OC3CC4CCC(C3)N4)cc2=O)cc1.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is DCSKCFZRCFAKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)18-6-4-15(5-7-18)21-9-8-16(12-19(21)22)25-17-10-13-2-3-14(11-17)20-13/h4-9,12-14,17,20H,2-3,10-11H2,1H3.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one?
4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 374.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 67367085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).