5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid

C10H12N2O4 — CID 82535240

IUPAC5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCOC(=O)C(C)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H12N2O4/c1-6(10(15)16-2)12-8-3-7(9(13)14)4-11-5-8/h3-6,12H,1-2H3,(H,13,14)
InChIKeyPQRWYSUVPPZKJR-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.75
Rot. Bonds4

About 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid

5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 82535240) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID82535240
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCOC(=O)C(C)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H12N2O4/c1-6(10(15)16-2)12-8-3-7(9(13)14)4-11-5-8/h3-6,12H,1-2H3,(H,13,14)
InChIKeyPQRWYSUVPPZKJR-UHFFFAOYSA-N
XLogP0.75
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid (CID 82535240) is 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid is COC(=O)C(C)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is PQRWYSUVPPZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(10(15)16-2)12-8-3-7(9(13)14)4-11-5-8/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid?
5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 82535240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).