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

C13H20N2O2 — CID 60677525

IUPAC4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCC(C)(C)Nc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-6-13(4,5)15-11-10(12(16)17)8(2)7-9(3)14-11/h7H,6H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyKIDBDYDRUKATCW-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.00
Rot. Bonds4

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

4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 60677525) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID60677525
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCC(C)(C)Nc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-6-13(4,5)15-11-10(12(16)17)8(2)7-9(3)14-11/h7H,6H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyKIDBDYDRUKATCW-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid (CID 60677525) is 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid is CCC(C)(C)Nc1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is KIDBDYDRUKATCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-6-13(4,5)15-11-10(12(16)17)8(2)7-9(3)14-11/h7H,6H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 3.00, 4 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-methylbutan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 60677525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).