6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid

C21H20N2O2 — CID 59320721

IUPAC6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C21H20N2O2/c1-14-7-9-18-17(11-14)12-19(15-5-3-2-4-6-15)23(18)20-10-8-16(13-22-20)21(24)25/h2-6,8,10,12-14H,7,9,11H2,1H3,(H,24,25)
InChIKeyRJLGOZMGYMVCCO-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.36
Rot. Bonds3

About 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid

6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid (PubChem CID 59320721) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid
PubChem CID59320721
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C21H20N2O2/c1-14-7-9-18-17(11-14)12-19(15-5-3-2-4-6-15)23(18)20-10-8-16(13-22-20)21(24)25/h2-6,8,10,12-14H,7,9,11H2,1H3,(H,24,25)
InChIKeyRJLGOZMGYMVCCO-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.36
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-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid (CID 59320721) is 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid is CC1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)O)cn2)C1.
What is the InChIKey of 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is RJLGOZMGYMVCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-7-9-18-17(11-14)12-19(15-5-3-2-4-6-15)23(18)20-10-8-16(13-22-20)21(24)25/h2-6,8,10,12-14H,7,9,11H2,1H3,(H,24,25).
What are the key properties of 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid?
6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59320721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).