5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid

C14H23N3O2 — CID 106028468

IUPAC5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
SMILESCCCCC(CCC)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(6-4-2)17-13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCRKAOYDRQJUEFR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.13
Rot. Bonds8

About 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid

5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid (PubChem CID 106028468) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
PubChem CID106028468
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
SMILESCCCCC(CCC)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(6-4-2)17-13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCRKAOYDRQJUEFR-UHFFFAOYSA-N
XLogP3.13
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(octan-4-ylamino)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 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid (CID 106028468) is 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid is CCCCC(CCC)Nc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
The InChIKey is CRKAOYDRQJUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-7-11(6-4-2)17-13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 106028468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).