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

C11H16N2O2 — CID 60678598

IUPAC4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-6(2)12-10-9(11(14)15)7(3)5-8(4)13-10/h5-6H,1-4H3,(H,12,13)(H,14,15)
InChIKeyBTIQZZHZIODSBD-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.22
Rot. Bonds3

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

4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 60678598) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID60678598
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-6(2)12-10-9(11(14)15)7(3)5-8(4)13-10/h5-6H,1-4H3,(H,12,13)(H,14,15)
InChIKeyBTIQZZHZIODSBD-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 79249523
2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 60677493
2-(1-ethylsulfanylpropan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 113499124
4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 61477361
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63539189
2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 62414994
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114156029
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid (CID 60678598) is 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is BTIQZZHZIODSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)12-10-9(11(14)15)7(3)5-8(4)13-10/h5-6H,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 60678598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).