2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione

C21H20N2O5 — CID 67810036

IUPAC2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione
SMILESO=C1C=C(c2ccc(OCc3ccccn3)cc2)OC(N2CCOCC2)C1=O
InChIInChI=1S/C21H20N2O5/c24-18-13-19(28-21(20(18)25)23-9-11-26-12-10-23)15-4-6-17(7-5-15)27-14-16-3-1-2-8-22-16/h1-8,13,21H,9-12,14H2
InChIKeyXZIWABTVYDSLCF-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.83
Rot. Bonds5

About 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione

2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione (PubChem CID 67810036) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione.

Molecular Properties

Compound Name2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione
PubChem CID67810036
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione
SMILESO=C1C=C(c2ccc(OCc3ccccn3)cc2)OC(N2CCOCC2)C1=O
InChIInChI=1S/C21H20N2O5/c24-18-13-19(28-21(20(18)25)23-9-11-26-12-10-23)15-4-6-17(7-5-15)27-14-16-3-1-2-8-22-16/h1-8,13,21H,9-12,14H2
InChIKeyXZIWABTVYDSLCF-UHFFFAOYSA-N
XLogP1.83
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
(2S)-2-methyl-4-(oxan-4-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 139009575
formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
CID 154923864
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129458176
[(3aS,7aR)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811558
1-hydroxy-3-morpholin-4-yl-6-(pyridin-2-ylmethoxy)xanthen-9-one
CID 58923370
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137077
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione?
The IUPAC name of 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione (CID 67810036) is 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione.
What is the SMILES notation for 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione?
The canonical SMILES for 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione is O=C1C=C(c2ccc(OCc3ccccn3)cc2)OC(N2CCOCC2)C1=O.
What is the InChIKey of 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione?
The InChIKey is XZIWABTVYDSLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c24-18-13-19(28-21(20(18)25)23-9-11-26-12-10-23)15-4-6-17(7-5-15)27-14-16-3-1-2-8-22-16/h1-8,13,21H,9-12,14H2.
What are the key properties of 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione?
2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione has a molecular weight of 380.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-[4-(pyridin-2-ylmethoxy)phenyl]pyran-3,4-dione is sourced from PubChem (CID 67810036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).