ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate

C14H20N2O3 — CID 2836871

IUPACethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)cc(C)nc1C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(17)13-11(3)15-10(2)9-12(13)16-5-7-18-8-6-16/h9H,4-8H2,1-3H3
InChIKeyBWVRBDOYLOCREV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.71
Rot. Bonds3

About ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate

ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 2836871) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate
PubChem CID2836871
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)cc(C)nc1C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(17)13-11(3)15-10(2)9-12(13)16-5-7-18-8-6-16/h9H,4-8H2,1-3H3
InChIKeyBWVRBDOYLOCREV-UHFFFAOYSA-N
XLogP1.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate (CID 2836871) is ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate is CCOC(=O)c1c(N2CCOCC2)cc(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is BWVRBDOYLOCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-14(17)13-11(3)15-10(2)9-12(13)16-5-7-18-8-6-16/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate?
ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 2836871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).