3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid

C12H19N3O2 — CID 106331142

IUPAC3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
SMILESCCC(C)(CC)Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H19N3O2/c1-4-12(3,5-2)15-10-9(13)8(11(16)17)6-7-14-10/h6-7H,4-5,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyWWMURUXXYLWLQB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.35
Rot. Bonds5

About 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid

3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid (PubChem CID 106331142) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
PubChem CID106331142
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
SMILESCCC(C)(CC)Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H19N3O2/c1-4-12(3,5-2)15-10-9(13)8(11(16)17)6-7-14-10/h6-7H,4-5,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyWWMURUXXYLWLQB-UHFFFAOYSA-N
XLogP2.35
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-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 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid (CID 106331142) is 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid is CCC(C)(CC)Nc1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
The InChIKey is WWMURUXXYLWLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-12(3,5-2)15-10-9(13)8(11(16)17)6-7-14-10/h6-7H,4-5,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 106331142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).