3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one

C16H14N2O3 — CID 2929993

IUPAC3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-13-5-3-2-4-12(13)16(21,15(18)20)10-14(19)11-6-8-17-9-7-11/h2-9,21H,10H2,1H3
InChIKeyXUIAUYKSLVYHGP-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.52
Rot. Bonds3

About 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one

3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one (PubChem CID 2929993) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
PubChem CID2929993
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-13-5-3-2-4-12(13)16(21,15(18)20)10-14(19)11-6-8-17-9-7-11/h2-9,21H,10H2,1H3
InChIKeyXUIAUYKSLVYHGP-UHFFFAOYSA-N
XLogP1.52
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one (CID 2929993) is 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one is CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The InChIKey is XUIAUYKSLVYHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-13-5-3-2-4-12(13)16(21,15(18)20)10-14(19)11-6-8-17-9-7-11/h2-9,21H,10H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one has a molecular weight of 282.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one is sourced from PubChem (CID 2929993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).