potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate

C14H13KN2O2 — CID 67046735

IUPACpotassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate
SMILESCN(Cc1ccc(C(=O)[O-])cc1)c1ccccn1.[K+]
InChIInChI=1S/C14H14N2O2.K/c1-16(13-4-2-3-9-15-13)10-11-5-7-12(8-6-11)14(17)18;/h2-9H,10H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyZWSIJUXNVZLVCE-UHFFFAOYSA-M
MW280.37 g/mol
LogP-1.91
Rot. Bonds4

About potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate

potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate (PubChem CID 67046735) has the molecular formula C14H13KN2O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namepotassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate
PubChem CID67046735
Molecular FormulaC14H13KN2O2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC Namepotassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate
SMILESCN(Cc1ccc(C(=O)[O-])cc1)c1ccccn1.[K+]
InChIInChI=1S/C14H14N2O2.K/c1-16(13-4-2-3-9-15-13)10-11-5-7-12(8-6-11)14(17)18;/h2-9H,10H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyZWSIJUXNVZLVCE-UHFFFAOYSA-M
XLogP-1.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate?
The IUPAC name of potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate (CID 67046735) is potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate.
What is the SMILES notation for potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate?
The canonical SMILES for potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate is CN(Cc1ccc(C(=O)[O-])cc1)c1ccccn1.[K+].
What is the InChIKey of potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate?
The InChIKey is ZWSIJUXNVZLVCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O2.K/c1-16(13-4-2-3-9-15-13)10-11-5-7-12(8-6-11)14(17)18;/h2-9H,10H2,1H3,(H,17,18);/q;+1/p-1.
What are the key properties of potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate?
potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate has a molecular weight of 280.37 g/mol, XLogP of -1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate is sourced from PubChem (CID 67046735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).