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

C14H20N2O2 — CID 55053323

IUPAC6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCC1CCCC(N(C)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-6-11(9-10)16(2)13-8-4-7-12(15-13)14(17)18/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18)
InChIKeyPHLJOBZJDKDTRW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.79
Rot. Bonds3

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

6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid (PubChem CID 55053323) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid
PubChem CID55053323
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCC1CCCC(N(C)c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-6-11(9-10)16(2)13-8-4-7-12(15-13)14(17)18/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18)
InChIKeyPHLJOBZJDKDTRW-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid (CID 55053323) is 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid is CC1CCCC(N(C)c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
The InChIKey is PHLJOBZJDKDTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-3-6-11(9-10)16(2)13-8-4-7-12(15-13)14(17)18/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid?
6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 55053323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).