6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione

C20H19N3O4 — CID 56680120

IUPAC6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione
SMILESO=C1c2cc3c(cc2OCN1CCc1cccnc1)C(=O)N1CCCC1O3
InChIInChI=1S/C20H19N3O4/c24-19-14-10-17-15(20(25)23-7-2-4-18(23)27-17)9-16(14)26-12-22(19)8-5-13-3-1-6-21-11-13/h1,3,6,9-11,18H,2,4-5,7-8,12H2
InChIKeyMNJOXIBQQUPHLH-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.07
Rot. Bonds3

About 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione

6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione (PubChem CID 56680120) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione.

Molecular Properties

Compound Name6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione
PubChem CID56680120
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione
SMILESO=C1c2cc3c(cc2OCN1CCc1cccnc1)C(=O)N1CCCC1O3
InChIInChI=1S/C20H19N3O4/c24-19-14-10-17-15(20(25)23-7-2-4-18(23)27-17)9-16(14)26-12-22(19)8-5-13-3-1-6-21-11-13/h1,3,6,9-11,18H,2,4-5,7-8,12H2
InChIKeyMNJOXIBQQUPHLH-UHFFFAOYSA-N
XLogP2.07
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione with MolForge

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Related Compounds

1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
6-[[1-(3-pyridin-3-ylpropyl)pyrrolidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
CID 14306742
(10bR)-1-(3-pyridin-3-ylpropyl)-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one
CID 124842552
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine
CID 60914978
5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714925
5-cycloheptyl-3-(2-pyridin-3-ylethyl)-1,3-diazinane-2,4-dione
CID 146103850
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
CID 107072568

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
The IUPAC name of 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione (CID 56680120) is 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione.
What is the SMILES notation for 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
The canonical SMILES for 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione is O=C1c2cc3c(cc2OCN1CCc1cccnc1)C(=O)N1CCCC1O3.
What is the InChIKey of 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
The InChIKey is MNJOXIBQQUPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19-14-10-17-15(20(25)23-7-2-4-18(23)27-17)9-16(14)26-12-22(19)8-5-13-3-1-6-21-11-13/h1,3,6,9-11,18H,2,4-5,7-8,12H2.
What are the key properties of 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione has a molecular weight of 365.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-3-ylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione is sourced from PubChem (CID 56680120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).