2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid

C12H16N2O2 — CID 79181220

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CN(c2ncccc2C(=O)O)CC1C
InChIInChI=1S/C12H16N2O2/c1-8-6-14(7-9(8)2)11-10(12(15)16)4-3-5-13-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyIEWAGYWETYMIIW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.87
Rot. Bonds2

About 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid

2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 79181220) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID79181220
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CN(c2ncccc2C(=O)O)CC1C
InChIInChI=1S/C12H16N2O2/c1-8-6-14(7-9(8)2)11-10(12(15)16)4-3-5-13-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyIEWAGYWETYMIIW-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 121203872
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 79181195
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 79181220) is 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid is CC1CN(c2ncccc2C(=O)O)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is IEWAGYWETYMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-6-14(7-9(8)2)11-10(12(15)16)4-3-5-13-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79181220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).