methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate

C14H18N2O5 — CID 115538646

IUPACmethyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)CC1CN(c2ncccc2C(=O)OC)CCO1
InChIInChI=1S/C14H18N2O5/c1-19-12(17)8-10-9-16(6-7-21-10)13-11(14(18)20-2)4-3-5-15-13/h3-5,10H,6-9H2,1-2H3
InChIKeyNWAPADMWABFPPO-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.64
Rot. Bonds4

About methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate

methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate (PubChem CID 115538646) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
PubChem CID115538646
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)CC1CN(c2ncccc2C(=O)OC)CCO1
InChIInChI=1S/C14H18N2O5/c1-19-12(17)8-10-9-16(6-7-21-10)13-11(14(18)20-2)4-3-5-15-13/h3-5,10H,6-9H2,1-2H3
InChIKeyNWAPADMWABFPPO-UHFFFAOYSA-N
XLogP0.64
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate (CID 115538646) is methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate is COC(=O)CC1CN(c2ncccc2C(=O)OC)CCO1.
What is the InChIKey of methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is NWAPADMWABFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-12(17)8-10-9-16(6-7-21-10)13-11(14(18)20-2)4-3-5-15-13/h3-5,10H,6-9H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate?
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 115538646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).