2-(oxan-4-ylamino)pyridine-4-carboxylic acid

C11H14N2O3 — CID 43610330

IUPAC2-(oxan-4-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCOCC2)c1
InChIInChI=1S/C11H14N2O3/c14-11(15)8-1-4-12-10(7-8)13-9-2-5-16-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,12,13)(H,14,15)
InChIKeyVMIKZFIZVCOGHG-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.37
Rot. Bonds3

About 2-(oxan-4-ylamino)pyridine-4-carboxylic acid

2-(oxan-4-ylamino)pyridine-4-carboxylic acid (PubChem CID 43610330) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(oxan-4-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-ylamino)pyridine-4-carboxylic acid
PubChem CID43610330
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(oxan-4-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCOCC2)c1
InChIInChI=1S/C11H14N2O3/c14-11(15)8-1-4-12-10(7-8)13-9-2-5-16-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,12,13)(H,14,15)
InChIKeyVMIKZFIZVCOGHG-UHFFFAOYSA-N
XLogP1.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(oxan-4-ylamino)pyridine-4-carboxylic acid (CID 43610330) is 2-(oxan-4-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(oxan-4-ylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC2CCOCC2)c1.
What is the InChIKey of 2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
The InChIKey is VMIKZFIZVCOGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)8-1-4-12-10(7-8)13-9-2-5-16-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
2-(oxan-4-ylamino)pyridine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43610330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).