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

C15H22N2O2 — CID 55107851

IUPAC6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C15H22N2O2/c1-10-4-7-12(8-5-10)17(3)14-13(15(18)19)9-6-11(2)16-14/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyORJMUMCKKKFYTB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.10
Rot. Bonds3

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

6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 55107851) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID55107851
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(C)C2CCC(C)CC2)n1
InChIInChI=1S/C15H22N2O2/c1-10-4-7-12(8-5-10)17(3)14-13(15(18)19)9-6-11(2)16-14/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyORJMUMCKKKFYTB-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 55107851) is 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N(C)C2CCC(C)CC2)n1.
What is the InChIKey of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is ORJMUMCKKKFYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-7-12(8-5-10)17(3)14-13(15(18)19)9-6-11(2)16-14/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55107851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).