5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid

C24H26N2O3 — CID 25109390

IUPAC5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3/c27-24(28)12-5-4-8-20-13-15-22(16-14-20)29-19-18-26(21-9-2-1-3-10-21)23-11-6-7-17-25-23/h1-3,6-7,9-11,13-17H,4-5,8,12,18-19H2,(H,27,28)
InChIKeyXQZJBIFBWZKGDN-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.10
Rot. Bonds11

About 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid

5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid (PubChem CID 25109390) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid
PubChem CID25109390
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C24H26N2O3/c27-24(28)12-5-4-8-20-13-15-22(16-14-20)29-19-18-26(21-9-2-1-3-10-21)23-11-6-7-17-25-23/h1-3,6-7,9-11,13-17H,4-5,8,12,18-19H2,(H,27,28)
InChIKeyXQZJBIFBWZKGDN-UHFFFAOYSA-N
XLogP5.10
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid?
The IUPAC name of 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid (CID 25109390) is 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid?
The canonical SMILES for 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid is O=C(O)CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid?
The InChIKey is XQZJBIFBWZKGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-24(28)12-5-4-8-20-13-15-22(16-14-20)29-19-18-26(21-9-2-1-3-10-21)23-11-6-7-17-25-23/h1-3,6-7,9-11,13-17H,4-5,8,12,18-19H2,(H,27,28).
What are the key properties of 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid?
5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]pentanoic acid is sourced from PubChem (CID 25109390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).