3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one

C11H14FN3O — CID 137450144

IUPAC3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one
SMILESCN1CC=C(n2cc(F)cc(N)c2=O)CC1
InChIInChI=1S/C11H14FN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h2,6-7H,3-5,13H2,1H3
InChIKeyKRBDDXVALCVDOZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.75
Rot. Bonds1

About 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one

3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one (PubChem CID 137450144) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one
PubChem CID137450144
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one
SMILESCN1CC=C(n2cc(F)cc(N)c2=O)CC1
InChIInChI=1S/C11H14FN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h2,6-7H,3-5,13H2,1H3
InChIKeyKRBDDXVALCVDOZ-UHFFFAOYSA-N
XLogP0.75
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one (CID 137450144) is 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one is CN1CC=C(n2cc(F)cc(N)c2=O)CC1.
What is the InChIKey of 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one?
The InChIKey is KRBDDXVALCVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h2,6-7H,3-5,13H2,1H3.
What are the key properties of 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one?
3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one has a molecular weight of 223.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-2-one is sourced from PubChem (CID 137450144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).