5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one

C15H14N2O4 — CID 167638926

IUPAC5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CC(=O)c2ccc3c(n2)OCO3)ccc1=O
InChIInChI=1S/C15H14N2O4/c1-2-17-8-10(3-6-14(17)19)7-12(18)11-4-5-13-15(16-11)21-9-20-13/h3-6,8H,2,7,9H2,1H3
InChIKeyOWRPRQNCYSHGJI-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.42
Rot. Bonds4

About 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one

5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one (PubChem CID 167638926) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one
PubChem CID167638926
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CC(=O)c2ccc3c(n2)OCO3)ccc1=O
InChIInChI=1S/C15H14N2O4/c1-2-17-8-10(3-6-14(17)19)7-12(18)11-4-5-13-15(16-11)21-9-20-13/h3-6,8H,2,7,9H2,1H3
InChIKeyOWRPRQNCYSHGJI-UHFFFAOYSA-N
XLogP1.42
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-5-prop-2-enylpyridin-2-one
CID 165139005
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 167694658
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30131932
2-[1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazol-4-yl]acetic acid
CID 82306770
methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 14852082
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylindol-3-yl)sulfanylacetamide
CID 5070966
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988489
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-6-oxo-N-pentan-3-ylpyridine-3-carboxamide
CID 50967342
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 146323320

Frequently Asked Questions

What is the IUPAC name of 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one?
The IUPAC name of 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one (CID 167638926) is 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one is CCn1cc(CC(=O)c2ccc3c(n2)OCO3)ccc1=O.
What is the InChIKey of 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one?
The InChIKey is OWRPRQNCYSHGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-17-8-10(3-6-14(17)19)7-12(18)11-4-5-13-15(16-11)21-9-20-13/h3-6,8H,2,7,9H2,1H3.
What are the key properties of 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one?
5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one has a molecular weight of 286.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-([1,3]dioxolo[4,5-b]pyridin-5-yl)-2-oxoethyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 167638926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).