4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid

C13H21N3O2 — CID 81233296

IUPAC4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
SMILESCCN(CC)CCCNc1ccncc1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)9-5-7-15-12-6-8-14-10-11(12)13(17)18/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyULXBHVIWGCDONV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds8

About 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid

4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid (PubChem CID 81233296) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
PubChem CID81233296
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
SMILESCCN(CC)CCCNc1ccncc1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)9-5-7-15-12-6-8-14-10-11(12)13(17)18/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyULXBHVIWGCDONV-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(diethylamino)propylamino]pyridine-3-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

4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
CID 81243719
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
CID 114537300
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
CID 81232397

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid (CID 81233296) is 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid is CCN(CC)CCCNc1ccncc1C(=O)O.
What is the InChIKey of 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
The InChIKey is ULXBHVIWGCDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16(4-2)9-5-7-15-12-6-8-14-10-11(12)13(17)18/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid?
4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81233296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).