[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate

C17H19NO3 — CID 90220599

IUPAC[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate
SMILESCC(=O)Oc1cc(CC(C)C)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C17H19NO3/c1-11(2)9-14-10-15(21-12(3)19)16(17(20)18-14)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,18,20)
InChIKeyMGNRBXSDZYZVCI-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.17
Rot. Bonds4

About [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate

[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate (PubChem CID 90220599) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate.

Molecular Properties

Compound Name[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate
PubChem CID90220599
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate
SMILESCC(=O)Oc1cc(CC(C)C)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C17H19NO3/c1-11(2)9-14-10-15(21-12(3)19)16(17(20)18-14)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,18,20)
InChIKeyMGNRBXSDZYZVCI-UHFFFAOYSA-N
XLogP3.17
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate?
The IUPAC name of [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate (CID 90220599) is [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate.
What is the SMILES notation for [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate?
The canonical SMILES for [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate is CC(=O)Oc1cc(CC(C)C)[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate?
The InChIKey is MGNRBXSDZYZVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(2)9-14-10-15(21-12(3)19)16(17(20)18-14)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,18,20).
What are the key properties of [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate?
[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate has a molecular weight of 285.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate is sourced from PubChem (CID 90220599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).