5-methyl-1-(2-pyridin-4-ylethyl)indole

C16H16N2 — CID 116622832

IUPAC5-methyl-1-(2-pyridin-4-ylethyl)indole
SMILESCc1ccc2c(ccn2CCc2ccncc2)c1
InChIInChI=1S/C16H16N2/c1-13-2-3-16-15(12-13)7-11-18(16)10-6-14-4-8-17-9-5-14/h2-5,7-9,11-12H,6,10H2,1H3
InChIKeyPJNIGUXGAZUIJE-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.59
Rot. Bonds3

About 5-methyl-1-(2-pyridin-4-ylethyl)indole

5-methyl-1-(2-pyridin-4-ylethyl)indole (PubChem CID 116622832) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-methyl-1-(2-pyridin-4-ylethyl)indole.

Molecular Properties

Compound Name5-methyl-1-(2-pyridin-4-ylethyl)indole
PubChem CID116622832
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-methyl-1-(2-pyridin-4-ylethyl)indole
SMILESCc1ccc2c(ccn2CCc2ccncc2)c1
InChIInChI=1S/C16H16N2/c1-13-2-3-16-15(12-13)7-11-18(16)10-6-14-4-8-17-9-5-14/h2-5,7-9,11-12H,6,10H2,1H3
InChIKeyPJNIGUXGAZUIJE-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
[1-(4-pyridin-4-ylbutyl)indol-5-yl]methylcarbamic acid
CID 54567903
1-(2-methoxyethyl)-5-methylindole
CID 116622979
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
[1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate
CID 15292697
5-methyl-1-(3-methylbut-3-enyl)indole
CID 114476776
2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
CID 63556206
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
5-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116622885
1-(methoxymethyl)-5-methylindole
CID 110831319
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-pyridin-4-ylethyl)indole?
The IUPAC name of 5-methyl-1-(2-pyridin-4-ylethyl)indole (CID 116622832) is 5-methyl-1-(2-pyridin-4-ylethyl)indole.
What is the SMILES notation for 5-methyl-1-(2-pyridin-4-ylethyl)indole?
The canonical SMILES for 5-methyl-1-(2-pyridin-4-ylethyl)indole is Cc1ccc2c(ccn2CCc2ccncc2)c1.
What is the InChIKey of 5-methyl-1-(2-pyridin-4-ylethyl)indole?
The InChIKey is PJNIGUXGAZUIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13-2-3-16-15(12-13)7-11-18(16)10-6-14-4-8-17-9-5-14/h2-5,7-9,11-12H,6,10H2,1H3.
What are the key properties of 5-methyl-1-(2-pyridin-4-ylethyl)indole?
5-methyl-1-(2-pyridin-4-ylethyl)indole has a molecular weight of 236.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-pyridin-4-ylethyl)indole is sourced from PubChem (CID 116622832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).