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

C15H22N2O2 — CID 80631277

IUPAC5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C1CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-10-4-6-13(7-5-10)17(3)14-11(2)8-12(9-16-14)15(18)19/h8-10,13H,4-7H2,1-3H3,(H,18,19)
InChIKeyNIECCHUKQKAJOA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.10
Rot. Bonds3

About 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid

5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 80631277) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID80631277
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C1CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-10-4-6-13(7-5-10)17(3)14-11(2)8-12(9-16-14)15(18)19/h8-10,13H,4-7H2,1-3H3,(H,18,19)
InChIKeyNIECCHUKQKAJOA-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 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid (CID 80631277) is 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)C1CCC(C)CC1.
What is the InChIKey of 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is NIECCHUKQKAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-6-13(7-5-10)17(3)14-11(2)8-12(9-16-14)15(18)19/h8-10,13H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid?
5-methyl-6-[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 5-methyl-6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 80631277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).