2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid

C19H21N3O3 — CID 143264400

IUPAC2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c(CCNCCc3cccnc3)c[nH]c12
InChIInChI=1S/C19H21N3O3/c23-18(24)13-25-17-5-1-4-16-15(12-22-19(16)17)7-10-20-9-6-14-3-2-8-21-11-14/h1-5,8,11-12,20,22H,6-7,9-10,13H2,(H,23,24)
InChIKeyJFYUTCHKARULID-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.40
Rot. Bonds9

About 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid

2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid (PubChem CID 143264400) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid
PubChem CID143264400
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c(CCNCCc3cccnc3)c[nH]c12
InChIInChI=1S/C19H21N3O3/c23-18(24)13-25-17-5-1-4-16-15(12-22-19(16)17)7-10-20-9-6-14-3-2-8-21-11-14/h1-5,8,11-12,20,22H,6-7,9-10,13H2,(H,23,24)
InChIKeyJFYUTCHKARULID-UHFFFAOYSA-N
XLogP2.40
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]propanoic acid
CID 25207721
2-[[3-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]-1H-indol-7-yl]oxy]acetic acid
CID 139877661
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
ethyl (2S)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]pentanoate
CID 11495574
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191325
(2R)-2-[[3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]-1-morpholin-4-ylpropan-1-one
CID 69459962
ethyl 1-[[3-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-1H-indol-7-yl]oxy]cyclobutane-1-carboxylate
CID 69458434
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid?
The IUPAC name of 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid (CID 143264400) is 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid?
The canonical SMILES for 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid is O=C(O)COc1cccc2c(CCNCCc3cccnc3)c[nH]c12.
What is the InChIKey of 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid?
The InChIKey is JFYUTCHKARULID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(24)13-25-17-5-1-4-16-15(12-22-19(16)17)7-10-20-9-6-14-3-2-8-21-11-14/h1-5,8,11-12,20,22H,6-7,9-10,13H2,(H,23,24).
What are the key properties of 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid?
2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid has a molecular weight of 339.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid is sourced from PubChem (CID 143264400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).