3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one

C12H13N3O2 — CID 137450700

IUPAC3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one
SMILESCCOc1ccc(-n2cccc(N)c2=O)nc1
InChIInChI=1S/C12H13N3O2/c1-2-17-9-5-6-11(14-8-9)15-7-3-4-10(13)12(15)16/h3-8H,2,13H2,1H3
InChIKeyPBVZNRYDMQJEON-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.21
Rot. Bonds3

About 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one

3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one (PubChem CID 137450700) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one
PubChem CID137450700
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one
SMILESCCOc1ccc(-n2cccc(N)c2=O)nc1
InChIInChI=1S/C12H13N3O2/c1-2-17-9-5-6-11(14-8-9)15-7-3-4-10(13)12(15)16/h3-8H,2,13H2,1H3
InChIKeyPBVZNRYDMQJEON-UHFFFAOYSA-N
XLogP1.21
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one (CID 137450700) is 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one is CCOc1ccc(-n2cccc(N)c2=O)nc1.
What is the InChIKey of 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one?
The InChIKey is PBVZNRYDMQJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-9-5-6-11(14-8-9)15-7-3-4-10(13)12(15)16/h3-8H,2,13H2,1H3.
What are the key properties of 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one?
3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethoxy-2-pyridinyl)pyridin-2-one is sourced from PubChem (CID 137450700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).