3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one

C15H14N2O2 — CID 142721308

IUPAC3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one
SMILESCN1C(=O)C(O)(Cc2cccnc2)c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-17-13-7-3-2-6-12(13)15(19,14(17)18)9-11-5-4-8-16-10-11/h2-8,10,19H,9H2,1H3
InChIKeyAFSIKSLGKZFBQO-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.49
Rot. Bonds2

About 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one

3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one (PubChem CID 142721308) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one
PubChem CID142721308
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one
SMILESCN1C(=O)C(O)(Cc2cccnc2)c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-17-13-7-3-2-6-12(13)15(19,14(17)18)9-11-5-4-8-16-10-11/h2-8,10,19H,9H2,1H3
InChIKeyAFSIKSLGKZFBQO-UHFFFAOYSA-N
XLogP1.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one
CID 102223452
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 95563231
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one
CID 5396666
(3R)-3-benzyl-2-imino-1-methylindol-3-ol
CID 163153635
1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde
CID 143313949
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 957775
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 56864431
(3R)-3-hydroxy-1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)indol-2-one
CID 42553623

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one (CID 142721308) is 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one is CN1C(=O)C(O)(Cc2cccnc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one?
The InChIKey is AFSIKSLGKZFBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17-13-7-3-2-6-12(13)15(19,14(17)18)9-11-5-4-8-16-10-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one?
3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one is sourced from PubChem (CID 142721308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).