methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate

C13H16N2O5 — CID 115670220

IUPACmethyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1ccc(OC)nc1
InChIInChI=1S/C13H16N2O5/c1-18-11-4-3-9(7-14-11)12(16)15-5-6-20-8-10(15)13(17)19-2/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyITSGGZPHNDDSSJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.10
Rot. Bonds3

About methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate

methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate (PubChem CID 115670220) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
PubChem CID115670220
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1ccc(OC)nc1
InChIInChI=1S/C13H16N2O5/c1-18-11-4-3-9(7-14-11)12(16)15-5-6-20-8-10(15)13(17)19-2/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyITSGGZPHNDDSSJ-UHFFFAOYSA-N
XLogP0.10
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate (CID 115670220) is methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1ccc(OC)nc1.
What is the InChIKey of methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate?
The InChIKey is ITSGGZPHNDDSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-18-11-4-3-9(7-14-11)12(16)15-5-6-20-8-10(15)13(17)19-2/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate?
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).