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

C24H26N2O3 — CID 25109449

IUPAC4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid
SMILESCc1ccnc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-19-14-15-25-23(18-19)26(21-7-3-2-4-8-21)16-17-29-22-12-10-20(11-13-22)6-5-9-24(27)28/h2-4,7-8,10-15,18H,5-6,9,16-17H2,1H3,(H,27,28)
InChIKeyUGINSSADTOZLCY-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.01
Rot. Bonds10

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

4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid (PubChem CID 25109449) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid
PubChem CID25109449
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid
SMILESCc1ccnc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-19-14-15-25-23(18-19)26(21-7-3-2-4-8-21)16-17-29-22-12-10-20(11-13-22)6-5-9-24(27)28/h2-4,7-8,10-15,18H,5-6,9,16-17H2,1H3,(H,27,28)
InChIKeyUGINSSADTOZLCY-UHFFFAOYSA-N
XLogP5.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid (CID 25109449) is 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid is Cc1ccnc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)c1.
What is the InChIKey of 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?
The InChIKey is UGINSSADTOZLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-19-14-15-25-23(18-19)26(21-7-3-2-4-8-21)16-17-29-22-12-10-20(11-13-22)6-5-9-24(27)28/h2-4,7-8,10-15,18H,5-6,9,16-17H2,1H3,(H,27,28).
What are the key properties of 4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid?
4-[4-[2-(N-(4-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-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 25109449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).