4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid

C24H23NO3 — CID 138532432

IUPAC4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
SMILESCOc1ccc(-c2ncc(C3CCCC3)cc2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-28-21-12-10-18(11-13-21)23-22(17-6-8-19(9-7-17)24(26)27)14-20(15-25-23)16-4-2-3-5-16/h6-16H,2-5H2,1H3,(H,26,27)
InChIKeyPTKDHTGLWLPDMN-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.78
Rot. Bonds5

About 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid

4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid (PubChem CID 138532432) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
PubChem CID138532432
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
SMILESCOc1ccc(-c2ncc(C3CCCC3)cc2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-28-21-12-10-18(11-13-21)23-22(17-6-8-19(9-7-17)24(26)27)14-20(15-25-23)16-4-2-3-5-16/h6-16H,2-5H2,1H3,(H,26,27)
InChIKeyPTKDHTGLWLPDMN-UHFFFAOYSA-N
XLogP5.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid (CID 138532432) is 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid is COc1ccc(-c2ncc(C3CCCC3)cc2-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
The InChIKey is PTKDHTGLWLPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-28-21-12-10-18(11-13-21)23-22(17-6-8-19(9-7-17)24(26)27)14-20(15-25-23)16-4-2-3-5-16/h6-16H,2-5H2,1H3,(H,26,27).
What are the key properties of 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid?
4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid has a molecular weight of 373.45 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 138532432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).