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

C24H26N2O3 — CID 25109509

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 Name4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid
PubChem CID25109509
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[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
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-(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).