6-(dipropylamino)pyridine-3-carboxylic acid

C12H18N2O2 — CID 16775596

IUPAC6-(dipropylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O2/c1-3-7-14(8-4-2)11-6-5-10(9-13-11)12(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyHZHCXUBHEMDETN-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.41
Rot. Bonds6

About 6-(dipropylamino)pyridine-3-carboxylic acid

6-(dipropylamino)pyridine-3-carboxylic acid (PubChem CID 16775596) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(dipropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(dipropylamino)pyridine-3-carboxylic acid
PubChem CID16775596
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-(dipropylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O2/c1-3-7-14(8-4-2)11-6-5-10(9-13-11)12(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyHZHCXUBHEMDETN-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(dipropylamino)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

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(dipropylamino)pyridine-3-carboxylic acid (CID 16775596) is 6-(dipropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(dipropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(dipropylamino)pyridine-3-carboxylic acid is CCCN(CCC)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(dipropylamino)pyridine-3-carboxylic acid?
The InChIKey is HZHCXUBHEMDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-7-14(8-4-2)11-6-5-10(9-13-11)12(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 6-(dipropylamino)pyridine-3-carboxylic acid?
6-(dipropylamino)pyridine-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 16775596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).