1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

C21H20N2O2 — CID 139887473

IUPAC1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(Cc2cc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C21H20N2O2/c24-21(25)17-8-6-12-22(14-17)15-19-13-16-7-4-5-11-20(16)23(19)18-9-2-1-3-10-18/h1-5,7-11,13H,6,12,14-15H2,(H,24,25)
InChIKeyNKEPMGTVKKFPGE-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.85
Rot. Bonds4

About 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 139887473) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID139887473
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCN(Cc2cc3ccccc3n2-c2ccccc2)C1
InChIInChI=1S/C21H20N2O2/c24-21(25)17-8-6-12-22(14-17)15-19-13-16-7-4-5-11-20(16)23(19)18-9-2-1-3-10-18/h1-5,7-11,13H,6,12,14-15H2,(H,24,25)
InChIKeyNKEPMGTVKKFPGE-UHFFFAOYSA-N
XLogP3.85
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 139887473) is 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is O=C(O)C1=CCCN(Cc2cc3ccccc3n2-c2ccccc2)C1.
What is the InChIKey of 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is NKEPMGTVKKFPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(25)17-8-6-12-22(14-17)15-19-13-16-7-4-5-11-20(16)23(19)18-9-2-1-3-10-18/h1-5,7-11,13H,6,12,14-15H2,(H,24,25).
What are the key properties of 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylindol-2-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 139887473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).