ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate

C16H23N3O3 — CID 126483034

IUPACethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N2CCCC2)cc1N1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(20)15-14(19-7-9-21-10-8-19)11-13(12-17-15)18-5-3-4-6-18/h11-12H,2-10H2,1H3
InChIKeyPMXODNSKBHKMHN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.70
Rot. Bonds4

About ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate

ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate (PubChem CID 126483034) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate
PubChem CID126483034
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N2CCCC2)cc1N1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(20)15-14(19-7-9-21-10-8-19)11-13(12-17-15)18-5-3-4-6-18/h11-12H,2-10H2,1H3
InChIKeyPMXODNSKBHKMHN-UHFFFAOYSA-N
XLogP1.70
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-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 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate (CID 126483034) is ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate is CCOC(=O)c1ncc(N2CCCC2)cc1N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate?
The InChIKey is PMXODNSKBHKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-16(20)15-14(19-7-9-21-10-8-19)11-13(12-17-15)18-5-3-4-6-18/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate?
ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-5-pyrrolidin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 126483034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).