5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid

C11H17N3O2 — CID 114404928

IUPAC5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
SMILESCCC(C)(C)Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C11H17N3O2/c1-4-11(2,3)14-9-7(12)5-6-8(13-9)10(15)16/h5-6H,4,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyFPAGBEFJDBYZSD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.96
Rot. Bonds4

About 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid

5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 114404928) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID114404928
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
SMILESCCC(C)(C)Nc1nc(C(=O)O)ccc1N
InChIInChI=1S/C11H17N3O2/c1-4-11(2,3)14-9-7(12)5-6-8(13-9)10(15)16/h5-6H,4,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyFPAGBEFJDBYZSD-UHFFFAOYSA-N
XLogP1.96
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(2-methylbutan-2-ylamino)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

Related Compounds

5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
4-amino-3-(2-methylbutan-2-ylamino)benzoic acid
CID 82791345
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid (CID 114404928) is 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid is CCC(C)(C)Nc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is FPAGBEFJDBYZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-11(2,3)14-9-7(12)5-6-8(13-9)10(15)16/h5-6H,4,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid?
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114404928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).