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

C16H24N2O2 — CID 60677924

IUPAC4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C16H24N2O2/c1-10-5-7-13(8-6-10)18(4)15-14(16(19)20)11(2)9-12(3)17-15/h9-10,13H,5-8H2,1-4H3,(H,19,20)
InChIKeyXIRJLMGCAFXQQP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.41
Rot. Bonds3

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

4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 60677924) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID60677924
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C16H24N2O2/c1-10-5-7-13(8-6-10)18(4)15-14(16(19)20)11(2)9-12(3)17-15/h9-10,13H,5-8H2,1-4H3,(H,19,20)
InChIKeyXIRJLMGCAFXQQP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 60677924) is 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N(C)C2CCC(C)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is XIRJLMGCAFXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-5-7-13(8-6-10)18(4)15-14(16(19)20)11(2)9-12(3)17-15/h9-10,13H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
4,6-dimethyl-2-[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 4,6-dimethyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 60677924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).