ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate

C13H18N2O3 — CID 91647651

IUPACethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(16)12-4-3-11(9-14-12)10-15-5-7-17-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyXMZYIBSTANPTFA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.09
Rot. Bonds4

About ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate

ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate (PubChem CID 91647651) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate
PubChem CID91647651
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(16)12-4-3-11(9-14-12)10-15-5-7-17-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyXMZYIBSTANPTFA-UHFFFAOYSA-N
XLogP1.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate (CID 91647651) is ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate is CCOC(=O)c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate?
The InChIKey is XMZYIBSTANPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-13(16)12-4-3-11(9-14-12)10-15-5-7-17-8-6-15/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate?
ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(morpholin-4-ylmethyl)pyridine-2-carboxylate is sourced from PubChem (CID 91647651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).