3-(decanoylamino)pyridine-2-carboxylic acid

C16H24N2O3 — CID 104740091

IUPAC3-(decanoylamino)pyridine-2-carboxylic acid
SMILESCCCCCCCCCC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-11-14(19)18-13-10-9-12-17-15(13)16(20)21/h9-10,12H,2-8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyWBVSJFXCZAJOIQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.86
Rot. Bonds10

About 3-(decanoylamino)pyridine-2-carboxylic acid

3-(decanoylamino)pyridine-2-carboxylic acid (PubChem CID 104740091) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(decanoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(decanoylamino)pyridine-2-carboxylic acid
PubChem CID104740091
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(decanoylamino)pyridine-2-carboxylic acid
SMILESCCCCCCCCCC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-11-14(19)18-13-10-9-12-17-15(13)16(20)21/h9-10,12H,2-8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyWBVSJFXCZAJOIQ-UHFFFAOYSA-N
XLogP3.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(decanoylamino)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

N-quinolin-8-ylundecanamide
CID 3567928
2-(hexacosanoylamino)benzoic acid
CID 123304158
3-(4-methoxypentanoylamino)pyridine-2-carboxylic acid
CID 113447517
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-pyrimidin-2-ylundecanamide
CID 4180610
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
2-chloro-3-(hexanoylamino)benzoic acid
CID 58066004
2,3-bis(tetradecanoylamino)benzoic acid
CID 154111832
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103

Frequently Asked Questions

What is the IUPAC name of 3-(decanoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(decanoylamino)pyridine-2-carboxylic acid (CID 104740091) is 3-(decanoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(decanoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(decanoylamino)pyridine-2-carboxylic acid is CCCCCCCCCC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(decanoylamino)pyridine-2-carboxylic acid?
The InChIKey is WBVSJFXCZAJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-11-14(19)18-13-10-9-12-17-15(13)16(20)21/h9-10,12H,2-8,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(decanoylamino)pyridine-2-carboxylic acid?
3-(decanoylamino)pyridine-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decanoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104740091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).