5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one

C16H16N2O2 — CID 141283969

IUPAC5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(-c3cncc(CCO)c3)cc21
InChIInChI=1S/C16H16N2O2/c1-10-14-7-12(2-3-15(14)18-16(10)20)13-6-11(4-5-19)8-17-9-13/h2-3,6-10,19H,4-5H2,1H3,(H,18,20)
InChIKeyDTAFOXMJCYVXHT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.34
Rot. Bonds3

About 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one

5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 141283969) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID141283969
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(-c3cncc(CCO)c3)cc21
InChIInChI=1S/C16H16N2O2/c1-10-14-7-12(2-3-15(14)18-16(10)20)13-6-11(4-5-19)8-17-9-13/h2-3,6-10,19H,4-5H2,1H3,(H,18,20)
InChIKeyDTAFOXMJCYVXHT-UHFFFAOYSA-N
XLogP2.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one
CID 82083874
5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
CID 82190449
5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one
CID 82089387
5-(2,4-dimethylphenyl)-3-methyl-1,3-dihydroindol-2-one
CID 82087696
(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9422912
(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467
(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 7447723
2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine
CID 6502040
2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine
CID 7447734
(3R)-5-[2-(3,4-dichlorophenoxy)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9196934
(3R)-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 9421585
3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 138041210

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one (CID 141283969) is 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(-c3cncc(CCO)c3)cc21.
What is the InChIKey of 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is DTAFOXMJCYVXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-14-7-12(2-3-15(14)18-16(10)20)13-6-11(4-5-19)8-17-9-13/h2-3,6-10,19H,4-5H2,1H3,(H,18,20).
What are the key properties of 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one?
5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 141283969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).