5-[benzyl(methyl)amino]pyridine-2-carboxylic acid

C14H14N2O2 — CID 12640193

IUPAC5-[benzyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H14N2O2/c1-16(10-11-5-3-2-4-6-11)12-7-8-13(14(17)18)15-9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFHHREESJXACVPZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.42
Rot. Bonds4

About 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid

5-[benzyl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 12640193) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID12640193
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-[benzyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H14N2O2/c1-16(10-11-5-3-2-4-6-11)12-7-8-13(14(17)18)15-9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFHHREESJXACVPZ-UHFFFAOYSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid (CID 12640193) is 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid is CN(Cc1ccccc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is FHHREESJXACVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16(10-11-5-3-2-4-6-11)12-7-8-13(14(17)18)15-9-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid?
5-[benzyl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).