6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol

C16H17N3O — CID 79775940

IUPAC6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C16H17N3O/c20-14-6-5-13(18-11-14)10-17-8-7-12-9-19-16-4-2-1-3-15(12)16/h1-6,9,11,17,19-20H,7-8,10H2
InChIKeyVOGUISYXJVKIQO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.60
Rot. Bonds5

About 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol

6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol (PubChem CID 79775940) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol
PubChem CID79775940
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C16H17N3O/c20-14-6-5-13(18-11-14)10-17-8-7-12-9-19-16-4-2-1-3-15(12)16/h1-6,9,11,17,19-20H,7-8,10H2
InChIKeyVOGUISYXJVKIQO-UHFFFAOYSA-N
XLogP2.60
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol
CID 143831830
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol (CID 79775940) is 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol is Oc1ccc(CNCCc2c[nH]c3ccccc23)nc1.
What is the InChIKey of 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is VOGUISYXJVKIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-14-6-5-13(18-11-14)10-17-8-7-12-9-19-16-4-2-1-3-15(12)16/h1-6,9,11,17,19-20H,7-8,10H2.
What are the key properties of 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol?
6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 267.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79775940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).