[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate

C17H16N2O2 — CID 144902236

IUPAC[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1cc(-c2c[nH]c3cc(C)ccc23)cnc1C
InChIInChI=1S/C17H16N2O2/c1-10-4-5-14-15(9-19-16(14)6-10)13-7-17(21-12(3)20)11(2)18-8-13/h4-9,19H,1-3H3
InChIKeyOEBXEMWODZPDQK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds2

About [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate

[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate (PubChem CID 144902236) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate.

Molecular Properties

Compound Name[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate
PubChem CID144902236
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1cc(-c2c[nH]c3cc(C)ccc23)cnc1C
InChIInChI=1S/C17H16N2O2/c1-10-4-5-14-15(9-19-16(14)6-10)13-7-17(21-12(3)20)11(2)18-8-13/h4-9,19H,1-3H3
InChIKeyOEBXEMWODZPDQK-UHFFFAOYSA-N
XLogP3.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986210
5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986206
3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
CID 136985961
1-methyl-5-(6-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136985862
3-methoxy-6-methyl-1H-indole
CID 58841092
7-methyl-3-phenyl-1H-quinolin-4-one
CID 59110346
[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate
CID 175548904
(6-methylnaphthalen-1-yl) acetate
CID 14143439
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
(8-methylbenzo[f]quinolin-6-yl) acetate
CID 171766293
(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
CID 170876576
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate?
The IUPAC name of [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate (CID 144902236) is [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate.
What is the SMILES notation for [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate?
The canonical SMILES for [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate is CC(=O)Oc1cc(-c2c[nH]c3cc(C)ccc23)cnc1C.
What is the InChIKey of [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate?
The InChIKey is OEBXEMWODZPDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-4-5-14-15(9-19-16(14)6-10)13-7-17(21-12(3)20)11(2)18-8-13/h4-9,19H,1-3H3.
What are the key properties of [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate?
[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate has a molecular weight of 280.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate is sourced from PubChem (CID 144902236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).