3-amino-1-phenylmethoxypyridin-2-one

C12H12N2O2 — CID 68514446

IUPAC3-amino-1-phenylmethoxypyridin-2-one
SMILESNc1cccn(OCc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O2/c13-11-7-4-8-14(12(11)15)16-9-10-5-2-1-3-6-10/h1-8H,9,13H2
InChIKeyVLELSSKNXFNUFX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-1-phenylmethoxypyridin-2-one

3-amino-1-phenylmethoxypyridin-2-one (PubChem CID 68514446) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-1-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-amino-1-phenylmethoxypyridin-2-one
PubChem CID68514446
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-amino-1-phenylmethoxypyridin-2-one
SMILESNc1cccn(OCc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O2/c13-11-7-4-8-14(12(11)15)16-9-10-5-2-1-3-6-10/h1-8H,9,13H2
InChIKeyVLELSSKNXFNUFX-UHFFFAOYSA-N
XLogP1.06
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylmethoxypyridin-2-one?
The IUPAC name of 3-amino-1-phenylmethoxypyridin-2-one (CID 68514446) is 3-amino-1-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-amino-1-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-amino-1-phenylmethoxypyridin-2-one is Nc1cccn(OCc2ccccc2)c1=O.
What is the InChIKey of 3-amino-1-phenylmethoxypyridin-2-one?
The InChIKey is VLELSSKNXFNUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-11-7-4-8-14(12(11)15)16-9-10-5-2-1-3-6-10/h1-8H,9,13H2.
What are the key properties of 3-amino-1-phenylmethoxypyridin-2-one?
3-amino-1-phenylmethoxypyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylmethoxypyridin-2-one is sourced from PubChem (CID 68514446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).