4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid

Name: 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₆N₂O₃ — CID 25109509

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid

SMILESCc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1

InChIInChI=1S/C24H26N2O3/c1-19-7-5-11-23(25-19)26(21-9-3-2-4-10-21)17-18-29-22-15-13-20(14-16-22)8-6-12-24(27)28/h2-5,7,9-11,13-16H,6,8,12,17-18H2,1H3,(H,27,28)

InChIKeyMVJMBOVOHFMTIK-UHFFFAOYSA-N

MW390.48 g/mol

LogP5.01

Rot. Bonds10

About 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid

4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid (PubChem CID 25109509) has the molecular formula C₂₄H₂₆N₂O₃ and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name	4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid
PubChem CID	25109509
Molecular Formula	C₂₄H₂₆N₂O₃
Molecular Weight	390.48 g/mol
Exact Mass	390.19
IUPAC Name	4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid
SMILES	Cc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1
InChI	InChI=1S/C24H26N2O3/c1-19-7-5-11-23(25-19)26(21-9-3-2-4-10-21)17-18-29-22-15-13-20(14-16-22)8-6-12-24(27)28/h2-5,7,9-11,13-16H,6,8,12,17-18H2,1H3,(H,27,28)
InChIKey	MVJMBOVOHFMTIK-UHFFFAOYSA-N
XLogP	5.01
TPSA	62.66 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	10
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?

The IUPAC name of 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid (CID 25109509) is 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid.

What is the SMILES notation for 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?

The canonical SMILES for 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid is Cc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.

What is the InChIKey of 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?

The InChIKey is MVJMBOVOHFMTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-19-7-5-11-23(25-19)26(21-9-3-2-4-10-21)17-18-29-22-15-13-20(14-16-22)8-6-12-24(27)28/h2-5,7,9-11,13-16H,6,8,12,17-18H2,1H3,(H,27,28).

What are the key properties of 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?

4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 25109509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 25109509 — identifiers, structure, computed properties (public domain)

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