5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid

C13H20N4O3 — CID 81439860

IUPAC5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(CN1CCOCC1)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H20N4O3/c1-9(8-17-2-4-20-5-3-17)16-12-11(14)6-10(7-15-12)13(18)19/h6-7,9H,2-5,8,14H2,1H3,(H,15,16)(H,18,19)
InChIKeyYIHFWXSYBQARAS-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.49
Rot. Bonds5

About 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid

5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 81439860) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID81439860
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(CN1CCOCC1)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H20N4O3/c1-9(8-17-2-4-20-5-3-17)16-12-11(14)6-10(7-15-12)13(18)19/h6-7,9H,2-5,8,14H2,1H3,(H,15,16)(H,18,19)
InChIKeyYIHFWXSYBQARAS-UHFFFAOYSA-N
XLogP0.49
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-6-(1-morpholin-4-ylpropan-2-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-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid (CID 81439860) is 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid is CC(CN1CCOCC1)Nc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is YIHFWXSYBQARAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(8-17-2-4-20-5-3-17)16-12-11(14)6-10(7-15-12)13(18)19/h6-7,9H,2-5,8,14H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81439860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).