6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one

C16H21N3O2 — CID 20514917

IUPAC6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one
SMILESCCNc1cc(-c2ccncc2)c(CC)n(CCO)c1=O
InChIInChI=1S/C16H21N3O2/c1-3-15-13(12-5-7-17-8-6-12)11-14(18-4-2)16(21)19(15)9-10-20/h5-8,11,18,20H,3-4,9-10H2,1-2H3
InChIKeyBIHBENFDZSSQQX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.90
Rot. Bonds6

About 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one

6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one (PubChem CID 20514917) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one
PubChem CID20514917
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one
SMILESCCNc1cc(-c2ccncc2)c(CC)n(CCO)c1=O
InChIInChI=1S/C16H21N3O2/c1-3-15-13(12-5-7-17-8-6-12)11-14(18-4-2)16(21)19(15)9-10-20/h5-8,11,18,20H,3-4,9-10H2,1-2H3
InChIKeyBIHBENFDZSSQQX-UHFFFAOYSA-N
XLogP1.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
The IUPAC name of 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one (CID 20514917) is 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one is CCNc1cc(-c2ccncc2)c(CC)n(CCO)c1=O.
What is the InChIKey of 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
The InChIKey is BIHBENFDZSSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-15-13(12-5-7-17-8-6-12)11-14(18-4-2)16(21)19(15)9-10-20/h5-8,11,18,20H,3-4,9-10H2,1-2H3.
What are the key properties of 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(ethylamino)-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 20514917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).