2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

C19H22N2O2 — CID 136552323

IUPAC2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCCc1ccc(C2CCN(Cc3ncccc3C(=O)O)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-14-5-7-15(8-6-14)16-9-11-21(12-16)13-18-17(19(22)23)4-3-10-20-18/h3-8,10,16H,2,9,11-13H2,1H3,(H,22,23)
InChIKeyHOFYWAHIKJIACF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds5

About 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 136552323) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID136552323
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCCc1ccc(C2CCN(Cc3ncccc3C(=O)O)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-14-5-7-15(8-6-14)16-9-11-21(12-16)13-18-17(19(22)23)4-3-10-20-18/h3-8,10,16H,2,9,11-13H2,1H3,(H,22,23)
InChIKeyHOFYWAHIKJIACF-UHFFFAOYSA-N
XLogP3.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 136552323) is 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is CCc1ccc(C2CCN(Cc3ncccc3C(=O)O)C2)cc1.
What is the InChIKey of 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is HOFYWAHIKJIACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-14-5-7-15(8-6-14)16-9-11-21(12-16)13-18-17(19(22)23)4-3-10-20-18/h3-8,10,16H,2,9,11-13H2,1H3,(H,22,23).
What are the key properties of 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 136552323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).