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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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).