N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide

C13H16FN3O2 — CID 104639315

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H16FN3O2/c14-7-3-4-9(16-6-7)13(18)17-11-10(15)8-2-1-5-19-12(8)11/h3-4,6,8,10-12H,1-2,5,15H2,(H,17,18)
InChIKeyRCRQETCHZLGORW-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.46
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide (PubChem CID 104639315) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide
PubChem CID104639315
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C13H16FN3O2/c14-7-3-4-9(16-6-7)13(18)17-11-10(15)8-2-1-5-19-12(8)11/h3-4,6,8,10-12H,1-2,5,15H2,(H,17,18)
InChIKeyRCRQETCHZLGORW-UHFFFAOYSA-N
XLogP0.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide (CID 104639315) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide is NC1C2CCCOC2C1NC(=O)c1ccc(F)cn1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide?
The InChIKey is RCRQETCHZLGORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-7-3-4-9(16-6-7)13(18)17-11-10(15)8-2-1-5-19-12(8)11/h3-4,6,8,10-12H,1-2,5,15H2,(H,17,18).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104639315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).