5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid

C11H17N3O3 — CID 81439410

IUPAC5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCOCC(C)CNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C11H17N3O3/c1-7(6-17-2)4-13-10-9(12)3-8(5-14-10)11(15)16/h3,5,7H,4,6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCDBBTFLPQLKOGI-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.06
Rot. Bonds6

About 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid

5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid (PubChem CID 81439410) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
PubChem CID81439410
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCOCC(C)CNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C11H17N3O3/c1-7(6-17-2)4-13-10-9(12)3-8(5-14-10)11(15)16/h3,5,7H,4,6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCDBBTFLPQLKOGI-UHFFFAOYSA-N
XLogP1.06
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-[(3-methoxy-2-methylpropyl)amino]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

Related Compounds

5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
CID 81438845
5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 114129018
5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid
CID 82469001
5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81439673
3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
CID 104506698
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114126633
6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438118
5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81439291
5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81439860
5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid (CID 81439410) is 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid is COCC(C)CNc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is CDBBTFLPQLKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(6-17-2)4-13-10-9(12)3-8(5-14-10)11(15)16/h3,5,7H,4,6,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).