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

C15H14N2 — CID 18940880

IUPAC5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(Cc3cccnc3)c2c1
InChIInChI=1S/C15H14N2/c1-11-4-5-15-14(7-11)13(10-17-15)8-12-3-2-6-16-9-12/h2-7,9-10,17H,8H2,1H3
InChIKeyWMBMVDIQKLTHAX-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds2

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

5-methyl-3-(pyridin-3-ylmethyl)-1H-indole (PubChem CID 18940880) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
PubChem CID18940880
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(Cc3cccnc3)c2c1
InChIInChI=1S/C15H14N2/c1-11-4-5-15-14(7-11)13(10-17-15)8-12-3-2-6-16-9-12/h2-7,9-10,17H,8H2,1H3
InChIKeyWMBMVDIQKLTHAX-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940837
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[[6-[(6-ethyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-indole
CID 58485861
5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole
CID 139374482
N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736915
2-(5-chloro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75435791
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole?
The IUPAC name of 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole (CID 18940880) is 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole?
The canonical SMILES for 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole is Cc1ccc2[nH]cc(Cc3cccnc3)c2c1.
What is the InChIKey of 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole?
The InChIKey is WMBMVDIQKLTHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-4-5-15-14(7-11)13(10-17-15)8-12-3-2-6-16-9-12/h2-7,9-10,17H,8H2,1H3.
What are the key properties of 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole?
5-methyl-3-(pyridin-3-ylmethyl)-1H-indole has a molecular weight of 222.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyridin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 18940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).