3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid

C24H31N3O3 — CID 142158782

IUPAC3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
SMILESCCCCCC(CC(=O)O)n1ccc2cc(OCCc3cccc(NC)n3)ccc21
InChIInChI=1S/C24H31N3O3/c1-3-4-5-8-20(17-24(28)29)27-14-12-18-16-21(10-11-22(18)27)30-15-13-19-7-6-9-23(25-2)26-19/h6-7,9-12,14,16,20H,3-5,8,13,15,17H2,1-2H3,(H,25,26)(H,28,29)
InChIKeyORIRCUOLCMZEDQ-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.30
Rot. Bonds12

About 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid

3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid (PubChem CID 142158782) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid.

Molecular Properties

Compound Name3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
PubChem CID142158782
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
SMILESCCCCCC(CC(=O)O)n1ccc2cc(OCCc3cccc(NC)n3)ccc21
InChIInChI=1S/C24H31N3O3/c1-3-4-5-8-20(17-24(28)29)27-14-12-18-16-21(10-11-22(18)27)30-15-13-19-7-6-9-23(25-2)26-19/h6-7,9-12,14,16,20H,3-5,8,13,15,17H2,1-2H3,(H,25,26)(H,28,29)
InChIKeyORIRCUOLCMZEDQ-UHFFFAOYSA-N
XLogP5.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
CID 90903976
ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate
CID 66819628
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
3-(2-ethylphenyl)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]butanoic acid
CID 70115234
ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
CID 141013948
3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid
CID 22570279
(3R)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-3-(1,3-thiazol-2-yl)butanoic acid
CID 54368391
(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid
CID 70191089
ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate
CID 11326106
N-methyl-6-[2-[4-(2-methylbut-1-enyl)phenoxy]ethyl]pyridin-2-amine
CID 141013947
(2S)-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 68901306
ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate
CID 66821164

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid?
The IUPAC name of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid (CID 142158782) is 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid.
What is the SMILES notation for 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid?
The canonical SMILES for 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid is CCCCCC(CC(=O)O)n1ccc2cc(OCCc3cccc(NC)n3)ccc21.
What is the InChIKey of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid?
The InChIKey is ORIRCUOLCMZEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-4-5-8-20(17-24(28)29)27-14-12-18-16-21(10-11-22(18)27)30-15-13-19-7-6-9-23(25-2)26-19/h6-7,9-12,14,16,20H,3-5,8,13,15,17H2,1-2H3,(H,25,26)(H,28,29).
What are the key properties of 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid?
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid has a molecular weight of 409.53 g/mol, XLogP of 5.30, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid is sourced from PubChem (CID 142158782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).