1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol

C20H26N4O4 — CID 118482519

IUPAC1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
SMILESOC(c1ccc(N2CCOCC2)nc1)C(O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O4/c25-19(15-1-3-17(21-13-15)23-5-9-27-10-6-23)20(26)16-2-4-18(22-14-16)24-7-11-28-12-8-24/h1-4,13-14,19-20,25-26H,5-12H2
InChIKeyXIFRTIKRXZCXNT-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.92
Rot. Bonds5

About 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol

1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol (PubChem CID 118482519) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
PubChem CID118482519
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
SMILESOC(c1ccc(N2CCOCC2)nc1)C(O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O4/c25-19(15-1-3-17(21-13-15)23-5-9-27-10-6-23)20(26)16-2-4-18(22-14-16)24-7-11-28-12-8-24/h1-4,13-14,19-20,25-26H,5-12H2
InChIKeyXIFRTIKRXZCXNT-UHFFFAOYSA-N
XLogP0.92
TPSA91.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid
CID 138676035
6-morpholin-4-ylpyridine-3-thiol
CID 123169519
benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate
CID 130196328
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
CID 112831674
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol (CID 118482519) is 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol is OC(c1ccc(N2CCOCC2)nc1)C(O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol?
The InChIKey is XIFRTIKRXZCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-19(15-1-3-17(21-13-15)23-5-9-27-10-6-23)20(26)16-2-4-18(22-14-16)24-7-11-28-12-8-24/h1-4,13-14,19-20,25-26H,5-12H2.
What are the key properties of 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol?
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol has a molecular weight of 386.45 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol is sourced from PubChem (CID 118482519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).