1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one

C24H28N4O2S — CID 57468392

IUPAC1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(SC)cc4)c(=O)c3)CC2)nc1
InChIInChI=1S/C24H28N4O2S/c1-3-4-18-16-25-24(26-17-18)27-12-9-20(10-13-27)30-21-11-14-28(23(29)15-21)19-5-7-22(31-2)8-6-19/h5-8,11,14-17,20H,3-4,9-10,12-13H2,1-2H3
InChIKeyURIJRMCKQDRAJF-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.35
Rot. Bonds7

About 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one

1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 57468392) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
PubChem CID57468392
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(SC)cc4)c(=O)c3)CC2)nc1
InChIInChI=1S/C24H28N4O2S/c1-3-4-18-16-25-24(26-17-18)27-12-9-20(10-13-27)30-21-11-14-28(23(29)15-21)19-5-7-22(31-2)8-6-19/h5-8,11,14-17,20H,3-4,9-10,12-13H2,1-2H3
InChIKeyURIJRMCKQDRAJF-UHFFFAOYSA-N
XLogP4.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one (CID 57468392) is 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one is CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(SC)cc4)c(=O)c3)CC2)nc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is URIJRMCKQDRAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-3-4-18-16-25-24(26-17-18)27-12-9-20(10-13-27)30-21-11-14-28(23(29)15-21)19-5-7-22(31-2)8-6-19/h5-8,11,14-17,20H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 436.58 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 57468392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).