5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid

C13H19N3O2 — CID 114405447

IUPAC5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCC1CCCCC1
InChIInChI=1S/C13H19N3O2/c14-10-6-7-11(13(17)18)16-12(10)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,14H2,(H,15,16)(H,17,18)
InChIKeyQDNUETCUAYWPPD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid

5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid (PubChem CID 114405447) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
PubChem CID114405447
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NCC1CCCCC1
InChIInChI=1S/C13H19N3O2/c14-10-6-7-11(13(17)18)16-12(10)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,14H2,(H,15,16)(H,17,18)
InChIKeyQDNUETCUAYWPPD-UHFFFAOYSA-N
XLogP2.35
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(cyclohexylmethylamino)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

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid (CID 114405447) is 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1NCC1CCCCC1.
What is the InChIKey of 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid?
The InChIKey is QDNUETCUAYWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-6-7-11(13(17)18)16-12(10)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,14H2,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid?
5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114405447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).