6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid

C26H26N2O4 — CID 10274300

IUPAC6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C26H26N2O4/c29-25(28-24-15-12-20(17-27-24)26(30)31)23(16-18-6-4-5-7-18)19-10-13-22(14-11-19)32-21-8-2-1-3-9-21/h1-3,8-15,17-18,23H,4-7,16H2,(H,30,31)(H,27,28,29)
InChIKeyZICAYCLFLSKQIT-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.87
Rot. Bonds8

About 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid

6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid (PubChem CID 10274300) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
PubChem CID10274300
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C26H26N2O4/c29-25(28-24-15-12-20(17-27-24)26(30)31)23(16-18-6-4-5-7-18)19-10-13-22(14-11-19)32-21-8-2-1-3-9-21/h1-3,8-15,17-18,23H,4-7,16H2,(H,30,31)(H,27,28,29)
InChIKeyZICAYCLFLSKQIT-UHFFFAOYSA-N
XLogP5.87
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid (CID 10274300) is 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)nc1.
What is the InChIKey of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ZICAYCLFLSKQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c29-25(28-24-15-12-20(17-27-24)26(30)31)23(16-18-6-4-5-7-18)19-10-13-22(14-11-19)32-21-8-2-1-3-9-21/h1-3,8-15,17-18,23H,4-7,16H2,(H,30,31)(H,27,28,29).
What are the key properties of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 10274300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).