3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one

C13H14FN3O2 — CID 178028475

IUPAC3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one
SMILESCOCC(c1ccnc(N)c1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C13H14FN3O2/c1-19-7-11(8-2-3-16-12(15)4-8)10-5-9(14)6-17-13(10)18/h2-6,11H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyKTNZCGTWZZYTNB-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.27
Rot. Bonds4

About 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one

3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one (PubChem CID 178028475) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one
PubChem CID178028475
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one
SMILESCOCC(c1ccnc(N)c1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C13H14FN3O2/c1-19-7-11(8-2-3-16-12(15)4-8)10-5-9(14)6-17-13(10)18/h2-6,11H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyKTNZCGTWZZYTNB-UHFFFAOYSA-N
XLogP1.27
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one (CID 178028475) is 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one is COCC(c1ccnc(N)c1)c1cc(F)c[nH]c1=O.
What is the InChIKey of 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one?
The InChIKey is KTNZCGTWZZYTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-19-7-11(8-2-3-16-12(15)4-8)10-5-9(14)6-17-13(10)18/h2-6,11H,7H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one?
3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one has a molecular weight of 263.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-4-pyridinyl)-2-methoxyethyl]-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 178028475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).