2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid

C11H12N2O3 — CID 63654626

IUPAC2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC(=O)C1CCC1
InChIInChI=1S/C11H12N2O3/c14-10(7-3-1-4-7)13-9-8(11(15)16)5-2-6-12-9/h2,5-7H,1,3-4H2,(H,15,16)(H,12,13,14)
InChIKeyOVTQHBWLYNXTHP-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.52
Rot. Bonds3

About 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid

2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid (PubChem CID 63654626) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
PubChem CID63654626
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC(=O)C1CCC1
InChIInChI=1S/C11H12N2O3/c14-10(7-3-1-4-7)13-9-8(11(15)16)5-2-6-12-9/h2,5-7H,1,3-4H2,(H,15,16)(H,12,13,14)
InChIKeyOVTQHBWLYNXTHP-UHFFFAOYSA-N
XLogP1.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid (CID 63654626) is 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1NC(=O)C1CCC1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid?
The InChIKey is OVTQHBWLYNXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(7-3-1-4-7)13-9-8(11(15)16)5-2-6-12-9/h2,5-7H,1,3-4H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid?
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63654626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).