5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid

C13H14N2O4 — CID 126835225

IUPAC5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC3CCC2O3)cn1
InChIInChI=1S/C13H14N2O4/c16-12(9-5-8-2-4-11(9)19-8)15-7-1-3-10(13(17)18)14-6-7/h1,3,6,8-9,11H,2,4-5H2,(H,15,16)(H,17,18)
InChIKeyJWCNCPZZOMYBBK-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.29
Rot. Bonds3

About 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid

5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid (PubChem CID 126835225) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid
PubChem CID126835225
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC3CCC2O3)cn1
InChIInChI=1S/C13H14N2O4/c16-12(9-5-8-2-4-11(9)19-8)15-7-1-3-10(13(17)18)14-6-7/h1,3,6,8-9,11H,2,4-5H2,(H,15,16)(H,17,18)
InChIKeyJWCNCPZZOMYBBK-UHFFFAOYSA-N
XLogP1.29
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyridin-4-ylsulfanylphenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 166230075
(1R,2R,4R)-N-(2H-benzotriazol-5-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98850278
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75430218
(1S,2R,4R)-N-(2H-triazol-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154867617
N-(3-hydroxy-6-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 153395407
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 83192913
N-[4-(3-bromo-4-fluorophenoxy)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 166367254
(1S,2R,4R)-N-[5-bromo-4-(dimethylamino)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128665165
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633

Frequently Asked Questions

What is the IUPAC name of 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid (CID 126835225) is 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)C2CC3CCC2O3)cn1.
What is the InChIKey of 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid?
The InChIKey is JWCNCPZZOMYBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12(9-5-8-2-4-11(9)19-8)15-7-1-3-10(13(17)18)14-6-7/h1,3,6,8-9,11H,2,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid?
5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 126835225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).