5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

C11H15N3O3 — CID 104638856

IUPAC5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCN(C)C(=O)CCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-14(2)10(15)5-6-12-8-3-4-9(11(16)17)13-7-8/h3-4,7,12H,5-6H2,1-2H3,(H,16,17)
InChIKeyAMUMXHVCWSHMAO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.67
Rot. Bonds5

About 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (PubChem CID 104638856) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
PubChem CID104638856
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCN(C)C(=O)CCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-14(2)10(15)5-6-12-8-3-4-9(11(16)17)13-7-8/h3-4,7,12H,5-6H2,1-2H3,(H,16,17)
InChIKeyAMUMXHVCWSHMAO-UHFFFAOYSA-N
XLogP0.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890
3-anilino-N,N-dimethylpropanamide
CID 60961994
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
3-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 61313740
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (CID 104638856) is 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is CN(C)C(=O)CCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The InChIKey is AMUMXHVCWSHMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14(2)10(15)5-6-12-8-3-4-9(11(16)17)13-7-8/h3-4,7,12H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).