5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid

C13H16N2O4 — CID 115273633

IUPAC5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(CC1CCOCC1)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O4/c16-12(7-9-3-5-19-6-4-9)15-10-1-2-11(13(17)18)14-8-10/h1-2,8-9H,3-7H2,(H,15,16)(H,17,18)
InChIKeyMVTSZAVAMDILEZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.53
Rot. Bonds4

About 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid

5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 115273633) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID115273633
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(CC1CCOCC1)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O4/c16-12(7-9-3-5-19-6-4-9)15-10-1-2-11(13(17)18)14-8-10/h1-2,8-9H,3-7H2,(H,15,16)(H,17,18)
InChIKeyMVTSZAVAMDILEZ-UHFFFAOYSA-N
XLogP1.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 115273633) is 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid is O=C(CC1CCOCC1)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is MVTSZAVAMDILEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(7-9-3-5-19-6-4-9)15-10-1-2-11(13(17)18)14-8-10/h1-2,8-9H,3-7H2,(H,15,16)(H,17,18).
What are the key properties of 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115273633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).