5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one

C24H36N2O4 — CID 167289186

IUPAC5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
SMILESC[C@H](COC(C)(C)C)n1cc(CC(C)(C)OC[C@H](C)n2ccccc2=O)ccc1=O
InChIInChI=1S/C24H36N2O4/c1-18(25-13-9-8-10-21(25)27)17-30-24(6,7)14-20-11-12-22(28)26(15-20)19(2)16-29-23(3,4)5/h8-13,15,18-19H,14,16-17H2,1-7H3/t18-,19+/m0/s1
InChIKeyZOJROQNXOVYQLV-RBUKOAKNSA-N
MW416.56 g/mol
LogP3.98
Rot. Bonds9

About 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one

5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one (PubChem CID 167289186) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
PubChem CID167289186
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
SMILESC[C@H](COC(C)(C)C)n1cc(CC(C)(C)OC[C@H](C)n2ccccc2=O)ccc1=O
InChIInChI=1S/C24H36N2O4/c1-18(25-13-9-8-10-21(25)27)17-30-24(6,7)14-20-11-12-22(28)26(15-20)19(2)16-29-23(3,4)5/h8-13,15,18-19H,14,16-17H2,1-7H3/t18-,19+/m0/s1
InChIKeyZOJROQNXOVYQLV-RBUKOAKNSA-N
XLogP3.98
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
The IUPAC name of 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one (CID 167289186) is 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one.
What is the SMILES notation for 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
The canonical SMILES for 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one is C[C@H](COC(C)(C)C)n1cc(CC(C)(C)OC[C@H](C)n2ccccc2=O)ccc1=O.
What is the InChIKey of 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
The InChIKey is ZOJROQNXOVYQLV-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-18(25-13-9-8-10-21(25)27)17-30-24(6,7)14-20-11-12-22(28)26(15-20)19(2)16-29-23(3,4)5/h8-13,15,18-19H,14,16-17H2,1-7H3/t18-,19+/m0/s1.
What are the key properties of 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one has a molecular weight of 416.56 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one is sourced from PubChem (CID 167289186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).