3-(pyridin-3-yloxymethyl)-1H-indol-7-amine

C14H13N3O — CID 117182000

IUPAC3-(pyridin-3-yloxymethyl)-1H-indol-7-amine
SMILESNc1cccc2c(COc3cccnc3)c[nH]c12
InChIInChI=1S/C14H13N3O/c15-13-5-1-4-12-10(7-17-14(12)13)9-18-11-3-2-6-16-8-11/h1-8,17H,9,15H2
InChIKeyVSVYDNCQUJAEPV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds3

About 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine

3-(pyridin-3-yloxymethyl)-1H-indol-7-amine (PubChem CID 117182000) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine.

Molecular Properties

Compound Name3-(pyridin-3-yloxymethyl)-1H-indol-7-amine
PubChem CID117182000
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-(pyridin-3-yloxymethyl)-1H-indol-7-amine
SMILESNc1cccc2c(COc3cccnc3)c[nH]c12
InChIInChI=1S/C14H13N3O/c15-13-5-1-4-12-10(7-17-14(12)13)9-18-11-3-2-6-16-8-11/h1-8,17H,9,15H2
InChIKeyVSVYDNCQUJAEPV-UHFFFAOYSA-N
XLogP2.72
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
7-fluoro-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117182002
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
CID 117170427
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
5-(pyridin-3-yloxymethyl)-1,2-thiazol-4-amine
CID 117217667
3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181704
3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid
CID 117171587
4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181944
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine?
The IUPAC name of 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine (CID 117182000) is 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine.
What is the SMILES notation for 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine?
The canonical SMILES for 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine is Nc1cccc2c(COc3cccnc3)c[nH]c12.
What is the InChIKey of 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine?
The InChIKey is VSVYDNCQUJAEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-13-5-1-4-12-10(7-17-14(12)13)9-18-11-3-2-6-16-8-11/h1-8,17H,9,15H2.
What are the key properties of 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine?
3-(pyridin-3-yloxymethyl)-1H-indol-7-amine has a molecular weight of 239.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-yloxymethyl)-1H-indol-7-amine is sourced from PubChem (CID 117182000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).