5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid

C13H19N3O2 — CID 115490992

IUPAC5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)C1CCCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H19N3O2/c1-15(2)11-4-3-7-16(9-11)10-5-6-12(13(17)18)14-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyHBFJBJHTDNKNNE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds3

About 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid

5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 115490992) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID115490992
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)C1CCCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H19N3O2/c1-15(2)11-4-3-7-16(9-11)10-5-6-12(13(17)18)14-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyHBFJBJHTDNKNNE-UHFFFAOYSA-N
XLogP1.31
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83126913
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83127877
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
1-[6-(1-aminopropyl)-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 112584494
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114288772
methyl 5-[3-(dimethylamino)piperidin-1-yl]-2-methylbenzoate
CID 177268771
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517330

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid (CID 115490992) is 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid is CN(C)C1CCCN(c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is HBFJBJHTDNKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)11-4-3-7-16(9-11)10-5-6-12(13(17)18)14-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid?
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).