3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid

C13H18N2O3 — CID 63069334

IUPAC3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccnc1C(=O)O)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-15(11-4-7-18-8-5-11)9-10-3-2-6-14-12(10)13(16)17/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)
InChIKeyDTTINWUFRWAEJG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds4

About 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid

3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63069334) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63069334
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccnc1C(=O)O)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-15(11-4-7-18-8-5-11)9-10-3-2-6-14-12(10)13(16)17/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)
InChIKeyDTTINWUFRWAEJG-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid (CID 63069334) is 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid is CN(Cc1cccnc1C(=O)O)C1CCOCC1.
What is the InChIKey of 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is DTTINWUFRWAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(11-4-7-18-8-5-11)9-10-3-2-6-14-12(10)13(16)17/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17).
What are the key properties of 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid?
3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63069334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).