3-(ethylamino)-1-pyridin-3-ylpyridin-2-one

C12H13N3O — CID 137457681

IUPAC3-(ethylamino)-1-pyridin-3-ylpyridin-2-one
SMILESCCNc1cccn(-c2cccnc2)c1=O
InChIInChI=1S/C12H13N3O/c1-2-14-11-6-4-8-15(12(11)16)10-5-3-7-13-9-10/h3-9,14H,2H2,1H3
InChIKeyOJNLKUCTMFSVGA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.66
Rot. Bonds3

About 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one

3-(ethylamino)-1-pyridin-3-ylpyridin-2-one (PubChem CID 137457681) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-pyridin-3-ylpyridin-2-one
PubChem CID137457681
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(ethylamino)-1-pyridin-3-ylpyridin-2-one
SMILESCCNc1cccn(-c2cccnc2)c1=O
InChIInChI=1S/C12H13N3O/c1-2-14-11-6-4-8-15(12(11)16)10-5-3-7-13-9-10/h3-9,14H,2H2,1H3
InChIKeyOJNLKUCTMFSVGA-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one (CID 137457681) is 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one is CCNc1cccn(-c2cccnc2)c1=O.
What is the InChIKey of 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one?
The InChIKey is OJNLKUCTMFSVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-14-11-6-4-8-15(12(11)16)10-5-3-7-13-9-10/h3-9,14H,2H2,1H3.
What are the key properties of 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one?
3-(ethylamino)-1-pyridin-3-ylpyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 137457681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).