6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one

C23H26N2O4 — CID 144603432

IUPAC6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
SMILESO=C1CCc2ccc(N3CCCC3=O)cc21.Oc1ccc(OCCC2CC2)nc1
InChIInChI=1S/C13H13NO2.C10H13NO2/c15-12-6-4-9-3-5-10(8-11(9)12)14-7-1-2-13(14)16;12-9-3-4-10(11-7-9)13-6-5-8-1-2-8/h3,5,8H,1-2,4,6-7H2;3-4,7-8,12H,1-2,5-6H2
InChIKeyVETXDWFSBBWBLR-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.91
Rot. Bonds5

About 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one

6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one (PubChem CID 144603432) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
PubChem CID144603432
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
SMILESO=C1CCc2ccc(N3CCCC3=O)cc21.Oc1ccc(OCCC2CC2)nc1
InChIInChI=1S/C13H13NO2.C10H13NO2/c15-12-6-4-9-3-5-10(8-11(9)12)14-7-1-2-13(14)16;12-9-3-4-10(11-7-9)13-6-5-8-1-2-8/h3,5,8H,1-2,4,6-7H2;3-4,7-8,12H,1-2,5-6H2
InChIKeyVETXDWFSBBWBLR-UHFFFAOYSA-N
XLogP3.91
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid
CID 123278796
6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 144603433
1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 67326358
1-[6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]-3-pyridinyl]pyrrolidin-2-one
CID 11646257
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
CID 126497716
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one
CID 79577774
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
6-[(3R)-3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-3H-isoindol-1-one
CID 135190929
(3R)-3-[[6-(3-ethoxypropoxy)-3-pyridinyl]oxy]-1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 90091864
1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
CID 68824082

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The IUPAC name of 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one (CID 144603432) is 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The canonical SMILES for 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one is O=C1CCc2ccc(N3CCCC3=O)cc21.Oc1ccc(OCCC2CC2)nc1.
What is the InChIKey of 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The InChIKey is VETXDWFSBBWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C10H13NO2/c15-12-6-4-9-3-5-10(8-11(9)12)14-7-1-2-13(14)16;12-9-3-4-10(11-7-9)13-6-5-8-1-2-8/h3,5,8H,1-2,4,6-7H2;3-4,7-8,12H,1-2,5-6H2.
What are the key properties of 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one has a molecular weight of 394.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 144603432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).