6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C18H20N2O2 — CID 166359477

IUPAC6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(C2(C)CCN(c3ccc(C(=O)O)cn3)C2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-3-6-15(7-4-13)18(2)9-10-20(12-18)16-8-5-14(11-19-16)17(21)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyHHMUABSARMEPSE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.26
Rot. Bonds3

About 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 166359477) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID166359477
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(C2(C)CCN(c3ccc(C(=O)O)cn3)C2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-3-6-15(7-4-13)18(2)9-10-20(12-18)16-8-5-14(11-19-16)17(21)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyHHMUABSARMEPSE-UHFFFAOYSA-N
XLogP3.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 166359477) is 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is Cc1ccc(C2(C)CCN(c3ccc(C(=O)O)cn3)C2)cc1.
What is the InChIKey of 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is HHMUABSARMEPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-3-6-15(7-4-13)18(2)9-10-20(12-18)16-8-5-14(11-19-16)17(21)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 166359477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).