methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate

C19H22N2O6 — CID 91639428

IUPACmethyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)CC(c1ccncc1)c1oc(CN2CCOCC2)cc(=O)c1O
InChIInChI=1S/C19H22N2O6/c1-25-17(23)11-15(13-2-4-20-5-3-13)19-18(24)16(22)10-14(27-19)12-21-6-8-26-9-7-21/h2-5,10,15,24H,6-9,11-12H2,1H3
InChIKeyCTCNRKZXZPTGLR-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.27
Rot. Bonds6

About methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate

methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate (PubChem CID 91639428) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate
PubChem CID91639428
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Namemethyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate
SMILESCOC(=O)CC(c1ccncc1)c1oc(CN2CCOCC2)cc(=O)c1O
InChIInChI=1S/C19H22N2O6/c1-25-17(23)11-15(13-2-4-20-5-3-13)19-18(24)16(22)10-14(27-19)12-21-6-8-26-9-7-21/h2-5,10,15,24H,6-9,11-12H2,1H3
InChIKeyCTCNRKZXZPTGLR-UHFFFAOYSA-N
XLogP1.27
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate?
The IUPAC name of methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate (CID 91639428) is methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate is COC(=O)CC(c1ccncc1)c1oc(CN2CCOCC2)cc(=O)c1O.
What is the InChIKey of methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate?
The InChIKey is CTCNRKZXZPTGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-25-17(23)11-15(13-2-4-20-5-3-13)19-18(24)16(22)10-14(27-19)12-21-6-8-26-9-7-21/h2-5,10,15,24H,6-9,11-12H2,1H3.
What are the key properties of methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate?
methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate has a molecular weight of 374.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 91639428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).