3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid

C12H17N3O2 — CID 114288669

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)C1CCN(c2cnccc2C(=O)O)C1
InChIInChI=1S/C12H17N3O2/c1-14(2)9-4-6-15(8-9)11-7-13-5-3-10(11)12(16)17/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyXMYFPPLUXFRKCH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.92
Rot. Bonds3

About 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid

3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 114288669) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
PubChem CID114288669
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)C1CCN(c2cnccc2C(=O)O)C1
InChIInChI=1S/C12H17N3O2/c1-14(2)9-4-6-15(8-9)11-7-13-5-3-10(11)12(16)17/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyXMYFPPLUXFRKCH-UHFFFAOYSA-N
XLogP0.92
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114288772
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 105062852
4-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 63163842
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
CID 114288777
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid
CID 105062773
ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 86804866
1-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 81247494
3-(2-ethylthiomorpholin-4-yl)pyridine-4-carboxylic acid
CID 105062840
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 63174772
3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517330

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid (CID 114288669) is 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid is CN(C)C1CCN(c2cnccc2C(=O)O)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is XMYFPPLUXFRKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14(2)9-4-6-15(8-9)11-7-13-5-3-10(11)12(16)17/h3,5,7,9H,4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid?
3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114288669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).