6-(tetradecanoylamino)pyridine-3-carboxylic acid

C20H32N2O3 — CID 163984429

IUPAC6-(tetradecanoylamino)pyridine-3-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)22-18-15-14-17(16-21-18)20(24)25/h14-16H,2-13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyTVAIZDZFYYROKD-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.42
Rot. Bonds14

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

6-(tetradecanoylamino)pyridine-3-carboxylic acid (PubChem CID 163984429) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 6-(tetradecanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(tetradecanoylamino)pyridine-3-carboxylic acid
PubChem CID163984429
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name6-(tetradecanoylamino)pyridine-3-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)22-18-15-14-17(16-21-18)20(24)25/h14-16H,2-13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyTVAIZDZFYYROKD-UHFFFAOYSA-N
XLogP5.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-[5-(N-methylanilino)-2-pyridinyl]pentanamide
CID 113031639
N-pyrimidin-4-yltetradecanamide
CID 54258014
N-(5-chloropyrazin-2-yl)octanamide
CID 104964264
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
CID 139915367
N-(5-methylpyrazin-2-yl)hexanamide
CID 59059045
3,5-bis(dodecanoylamino)benzoic acid
CID 3575091

Frequently Asked Questions

What is the IUPAC name of 6-(tetradecanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(tetradecanoylamino)pyridine-3-carboxylic acid (CID 163984429) is 6-(tetradecanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(tetradecanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(tetradecanoylamino)pyridine-3-carboxylic acid is CCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(tetradecanoylamino)pyridine-3-carboxylic acid?
The InChIKey is TVAIZDZFYYROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)22-18-15-14-17(16-21-18)20(24)25/h14-16H,2-13H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(tetradecanoylamino)pyridine-3-carboxylic acid?
6-(tetradecanoylamino)pyridine-3-carboxylic acid has a molecular weight of 348.49 g/mol, XLogP of 5.42, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tetradecanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 163984429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).