ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

C16H24N2O4 — CID 169247717

IUPACethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCC.COC(=O)c1cc2c(nc1N1CCOCC1)COC2C
InChIInChI=1S/C14H18N2O4.C2H6/c1-9-10-7-11(14(17)18-2)13(15-12(10)8-20-9)16-3-5-19-6-4-16;1-2/h7,9H,3-6,8H2,1-2H3;1-2H3
InChIKeyNWLJLRNYSUTVJA-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.32
Rot. Bonds2

About ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (PubChem CID 169247717) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
PubChem CID169247717
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nameethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCC.COC(=O)c1cc2c(nc1N1CCOCC1)COC2C
InChIInChI=1S/C14H18N2O4.C2H6/c1-9-10-7-11(14(17)18-2)13(15-12(10)8-20-9)16-3-5-19-6-4-16;1-2/h7,9H,3-6,8H2,1-2H3;1-2H3
InChIKeyNWLJLRNYSUTVJA-UHFFFAOYSA-N
XLogP2.32
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The IUPAC name of ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (CID 169247717) is ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is CC.COC(=O)c1cc2c(nc1N1CCOCC1)COC2C.
What is the InChIKey of ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The InChIKey is NWLJLRNYSUTVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4.C2H6/c1-9-10-7-11(14(17)18-2)13(15-12(10)8-20-9)16-3-5-19-6-4-16;1-2/h7,9H,3-6,8H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 169247717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).