2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid

C16H24N2O2 — CID 81053226

IUPAC2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)C2CCC(C)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H24N2O2/c1-10-5-7-13(8-6-10)18(4)14-9-11(2)17-12(3)15(14)16(19)20/h9-10,13H,5-8H2,1-4H3,(H,19,20)
InChIKeyWDAJSWFDVXKSKL-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.41
Rot. Bonds3

About 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid

2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 81053226) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID81053226
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)C2CCC(C)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H24N2O2/c1-10-5-7-13(8-6-10)18(4)14-9-11(2)17-12(3)15(14)16(19)20/h9-10,13H,5-8H2,1-4H3,(H,19,20)
InChIKeyWDAJSWFDVXKSKL-UHFFFAOYSA-N
XLogP3.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 81053226) is 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is Cc1cc(N(C)C2CCC(C)CC2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is WDAJSWFDVXKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-5-7-13(8-6-10)18(4)14-9-11(2)17-12(3)15(14)16(19)20/h9-10,13H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81053226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).