N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide

C12H15N3O3 — CID 66195765

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1cncc(O)c1
InChIInChI=1S/C12H15N3O3/c13-9-8-1-2-18-11(8)10(9)15-12(17)6-3-7(16)5-14-4-6/h3-5,8-11,16H,1-2,13H2,(H,15,17)
InChIKeyLVTSFFQULUKDBY-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.37
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide (PubChem CID 66195765) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
PubChem CID66195765
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1cncc(O)c1
InChIInChI=1S/C12H15N3O3/c13-9-8-1-2-18-11(8)10(9)15-12(17)6-3-7(16)5-14-4-6/h3-5,8-11,16H,1-2,13H2,(H,15,17)
InChIKeyLVTSFFQULUKDBY-UHFFFAOYSA-N
XLogP-0.37
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide (CID 66195765) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide is NC1C2CCOC2C1NC(=O)c1cncc(O)c1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is LVTSFFQULUKDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-9-8-1-2-18-11(8)10(9)15-12(17)6-3-7(16)5-14-4-6/h3-5,8-11,16H,1-2,13H2,(H,15,17).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 66195765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).