7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane

C20H28N4OS2 — CID 15321740

IUPAC7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
SMILESc1ccc(N2CCSCCOCCSCCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C20H28N4OS2/c1-3-7-21-19(5-1)23-9-10-24(20-6-2-4-8-22-20)12-16-27-18-14-25-13-17-26-15-11-23/h1-8H,9-18H2
InChIKeyZYLHPHIPCBVWFA-UHFFFAOYSA-N
MW404.61 g/mol
LogP3.29
Rot. Bonds2

About 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane

7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane (PubChem CID 15321740) has the molecular formula C20H28N4OS2 and a molecular weight of 404.61 g/mol. Its IUPAC name is 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane.

Molecular Properties

Compound Name7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
PubChem CID15321740
Molecular FormulaC20H28N4OS2
Molecular Weight404.61 g/mol
Exact Mass404.17
IUPAC Name7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
SMILESc1ccc(N2CCSCCOCCSCCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C20H28N4OS2/c1-3-7-21-19(5-1)23-9-10-24(20-6-2-4-8-22-20)12-16-27-18-14-25-13-17-26-15-11-23/h1-8H,9-18H2
InChIKeyZYLHPHIPCBVWFA-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.61
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
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CID 35582506
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65082180
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440

Frequently Asked Questions

What is the IUPAC name of 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
The IUPAC name of 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane (CID 15321740) is 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane.
What is the SMILES notation for 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
The canonical SMILES for 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane is c1ccc(N2CCSCCOCCSCCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
The InChIKey is ZYLHPHIPCBVWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS2/c1-3-7-21-19(5-1)23-9-10-24(20-6-2-4-8-22-20)12-16-27-18-14-25-13-17-26-15-11-23/h1-8H,9-18H2.
What are the key properties of 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane has a molecular weight of 404.61 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dipyridin-2-yl-1-oxa-4,13-dithia-7,10-diazacyclopentadecane is sourced from PubChem (CID 15321740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).