6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid

C24H24N2O2 — CID 154472131

IUPAC6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-n2c(-c3ccccc3)cc3c2CCC(C2CCC2)C3)n1
InChIInChI=1S/C24H24N2O2/c27-24(28)20-10-5-11-23(25-20)26-21-13-12-18(16-8-4-9-16)14-19(21)15-22(26)17-6-2-1-3-7-17/h1-3,5-7,10-11,15-16,18H,4,8-9,12-14H2,(H,27,28)
InChIKeyUXEVWAYXEAWKBX-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.14
Rot. Bonds4

About 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid

6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid (PubChem CID 154472131) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
PubChem CID154472131
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-n2c(-c3ccccc3)cc3c2CCC(C2CCC2)C3)n1
InChIInChI=1S/C24H24N2O2/c27-24(28)20-10-5-11-23(25-20)26-21-13-12-18(16-8-4-9-16)14-19(21)15-22(26)17-6-2-1-3-7-17/h1-3,5-7,10-11,15-16,18H,4,8-9,12-14H2,(H,27,28)
InChIKeyUXEVWAYXEAWKBX-UHFFFAOYSA-N
XLogP5.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid (CID 154472131) is 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(-n2c(-c3ccccc3)cc3c2CCC(C2CCC2)C3)n1.
What is the InChIKey of 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is UXEVWAYXEAWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(28)20-10-5-11-23(25-20)26-21-13-12-18(16-8-4-9-16)14-19(21)15-22(26)17-6-2-1-3-7-17/h1-3,5-7,10-11,15-16,18H,4,8-9,12-14H2,(H,27,28).
What are the key properties of 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclobutyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 154472131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).