4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid

C13H20N2O2 — CID 62691835

IUPAC4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
SMILESCCC(C)CNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-5-8(2)7-14-12-11(13(16)17)9(3)6-10(4)15-12/h6,8H,5,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyRQUOWLNXHGLYTM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.85
Rot. Bonds5

About 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid

4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid (PubChem CID 62691835) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
PubChem CID62691835
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
SMILESCCC(C)CNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-5-8(2)7-14-12-11(13(16)17)9(3)6-10(4)15-12/h6,8H,5,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyRQUOWLNXHGLYTM-UHFFFAOYSA-N
XLogP2.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 103604242
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 60677525
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 79249523
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
4,6-dimethyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 63829797
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 106278036

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid (CID 62691835) is 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid is CCC(C)CNc1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid?
The InChIKey is RQUOWLNXHGLYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-8(2)7-14-12-11(13(16)17)9(3)6-10(4)15-12/h6,8H,5,7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 62691835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).