6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid

C11H16N2O2 — CID 58418036

IUPAC6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(N(C)C(C)C)cc(C(=O)O)n1
InChIInChI=1S/C11H16N2O2/c1-7(2)13(4)9-5-8(3)12-10(6-9)11(14)15/h5-7H,1-4H3,(H,14,15)
InChIKeyLQKNYBVROMZILF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds3

About 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid

6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid (PubChem CID 58418036) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
PubChem CID58418036
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(N(C)C(C)C)cc(C(=O)O)n1
InChIInChI=1S/C11H16N2O2/c1-7(2)13(4)9-5-8(3)12-10(6-9)11(14)15/h5-7H,1-4H3,(H,14,15)
InChIKeyLQKNYBVROMZILF-UHFFFAOYSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid (CID 58418036) is 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid is Cc1cc(N(C)C(C)C)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is LQKNYBVROMZILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)13(4)9-5-8(3)12-10(6-9)11(14)15/h5-7H,1-4H3,(H,14,15).
What are the key properties of 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid?
6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 58418036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).