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

C11H16N2O2 — CID 43272352

IUPAC6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)CN(C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-8(2)7-13(3)10-5-4-9(6-12-10)11(14)15/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyQWAQJSRQHWLZCI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds4

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

6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid (PubChem CID 43272352) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
PubChem CID43272352
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)CN(C)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-8(2)7-13(3)10-5-4-9(6-12-10)11(14)15/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyQWAQJSRQHWLZCI-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid (CID 43272352) is 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid is CC(C)CN(C)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is QWAQJSRQHWLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)7-13(3)10-5-4-9(6-12-10)11(14)15/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid?
6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 43272352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).