2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid

C13H19N3O3 — CID 106278036

IUPAC2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C13H19N3O3/c1-7-5-8(2)16-10(9(7)11(17)18)15-6-13(3,4)12(14)19/h5H,6H2,1-4H3,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyZAFVJSQUXFHPLU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.32
Rot. Bonds5

About 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid

2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 106278036) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID106278036
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C13H19N3O3/c1-7-5-8(2)16-10(9(7)11(17)18)15-6-13(3,4)12(14)19/h5H,6H2,1-4H3,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyZAFVJSQUXFHPLU-UHFFFAOYSA-N
XLogP1.32
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114150193
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 60677525
4,6-dimethyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80522433
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114156029
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 61003705

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (CID 106278036) is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ZAFVJSQUXFHPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7-5-8(2)16-10(9(7)11(17)18)15-6-13(3,4)12(14)19/h5H,6H2,1-4H3,(H2,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 106278036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).