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

C15H24N2O2 — CID 81053146

IUPAC2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)C(C)CC(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H24N2O2/c1-9(2)7-11(4)17(6)13-8-10(3)16-12(5)14(13)15(18)19/h8-9,11H,7H2,1-6H3,(H,18,19)
InChIKeyMKTXFSMUXGGWHM-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.27
Rot. Bonds5

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

2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 81053146) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID81053146
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)C(C)CC(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H24N2O2/c1-9(2)7-11(4)17(6)13-8-10(3)16-12(5)14(13)15(18)19/h8-9,11H,7H2,1-6H3,(H,18,19)
InChIKeyMKTXFSMUXGGWHM-UHFFFAOYSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.27
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-methylpentan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid (CID 81053146) is 2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid is Cc1cc(N(C)C(C)CC(C)C)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is MKTXFSMUXGGWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)7-11(4)17(6)13-8-10(3)16-12(5)14(13)15(18)19/h8-9,11H,7H2,1-6H3,(H,18,19).
What are the key properties of 2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid?
2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.27, 5 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-methylpentan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81053146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).