5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one

C13H19FN2O2 — CID 139383745

IUPAC5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cc(F)cn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C13H19FN2O2/c1-9(2)15-12-6-10(14)7-16(13(12)17)11-4-3-5-18-8-11/h6-7,9,11,15H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyIIQJGICBFSZKHN-LLVKDONJSA-N
MW254.30 g/mol
LogP2.16
Rot. Bonds3

About 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one

5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 139383745) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID139383745
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cc(F)cn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C13H19FN2O2/c1-9(2)15-12-6-10(14)7-16(13(12)17)11-4-3-5-18-8-11/h6-7,9,11,15H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyIIQJGICBFSZKHN-LLVKDONJSA-N
XLogP2.16
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 139383745) is 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cc(F)cn([C@@H]2CCCOC2)c1=O.
What is the InChIKey of 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is IIQJGICBFSZKHN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)15-12-6-10(14)7-16(13(12)17)11-4-3-5-18-8-11/h6-7,9,11,15H,3-5,8H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 254.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 139383745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).