2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one

C19H19N3O3 — CID 58781436

IUPAC2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one
SMILESCCOc1ccnc(-c2cc(=O)cc(-c3cc(OCC)ccn3)[nH]2)c1
InChIInChI=1S/C19H19N3O3/c1-3-24-14-5-7-20-16(11-14)18-9-13(23)10-19(22-18)17-12-15(25-4-2)6-8-21-17/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyYTKKXAODOXXAOM-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.30
Rot. Bonds6

About 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one

2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one (PubChem CID 58781436) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one
PubChem CID58781436
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one
SMILESCCOc1ccnc(-c2cc(=O)cc(-c3cc(OCC)ccn3)[nH]2)c1
InChIInChI=1S/C19H19N3O3/c1-3-24-14-5-7-20-16(11-14)18-9-13(23)10-19(22-18)17-12-15(25-4-2)6-8-21-17/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyYTKKXAODOXXAOM-UHFFFAOYSA-N
XLogP3.30
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one?
The IUPAC name of 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one (CID 58781436) is 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one.
What is the SMILES notation for 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one?
The canonical SMILES for 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one is CCOc1ccnc(-c2cc(=O)cc(-c3cc(OCC)ccn3)[nH]2)c1.
What is the InChIKey of 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one?
The InChIKey is YTKKXAODOXXAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-24-14-5-7-20-16(11-14)18-9-13(23)10-19(22-18)17-12-15(25-4-2)6-8-21-17/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one?
2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-ethoxy-2-pyridinyl)-1H-pyridin-4-one is sourced from PubChem (CID 58781436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).