5-methyl-1-(pyridin-3-ylmethyl)indole

C15H14N2 — CID 116622934

IUPAC5-methyl-1-(pyridin-3-ylmethyl)indole
SMILESCc1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C15H14N2/c1-12-4-5-15-14(9-12)6-8-17(15)11-13-3-2-7-16-10-13/h2-10H,11H2,1H3
InChIKeyMVSKKZMLHYWSEZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.39
Rot. Bonds2

About 5-methyl-1-(pyridin-3-ylmethyl)indole

5-methyl-1-(pyridin-3-ylmethyl)indole (PubChem CID 116622934) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methyl-1-(pyridin-3-ylmethyl)indole.

Molecular Properties

Compound Name5-methyl-1-(pyridin-3-ylmethyl)indole
PubChem CID116622934
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name5-methyl-1-(pyridin-3-ylmethyl)indole
SMILESCc1ccc2c(ccn2Cc2cccnc2)c1
InChIInChI=1S/C15H14N2/c1-12-4-5-15-14(9-12)6-8-17(15)11-13-3-2-7-16-10-13/h2-10H,11H2,1H3
InChIKeyMVSKKZMLHYWSEZ-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)indol-5-yl]methylideneamino]aniline
CID 169383159
5-methyl-1-(2-pyridin-4-ylethyl)indole
CID 116622832
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide
CID 59034901
5-methyl-1-(naphthalen-1-ylmethyl)indole
CID 110831307
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
3-methyl-4-[(5-methylindol-1-yl)methyl]-1,2,5-oxadiazole
CID 116622953
5-methyl-1-(phenylmethoxymethyl)indole
CID 102940732
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
CID 69498250

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(pyridin-3-ylmethyl)indole?
The IUPAC name of 5-methyl-1-(pyridin-3-ylmethyl)indole (CID 116622934) is 5-methyl-1-(pyridin-3-ylmethyl)indole.
What is the SMILES notation for 5-methyl-1-(pyridin-3-ylmethyl)indole?
The canonical SMILES for 5-methyl-1-(pyridin-3-ylmethyl)indole is Cc1ccc2c(ccn2Cc2cccnc2)c1.
What is the InChIKey of 5-methyl-1-(pyridin-3-ylmethyl)indole?
The InChIKey is MVSKKZMLHYWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-12-4-5-15-14(9-12)6-8-17(15)11-13-3-2-7-16-10-13/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-1-(pyridin-3-ylmethyl)indole?
5-methyl-1-(pyridin-3-ylmethyl)indole has a molecular weight of 222.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(pyridin-3-ylmethyl)indole is sourced from PubChem (CID 116622934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).