ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate

C21H21N3O4 — CID 118573115

IUPACethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C21H21N3O4/c1-2-28-21(26)17-13-16-5-3-4-8-24(16)19(17)18-7-6-15(14-22-18)20(25)23-9-11-27-12-10-23/h3-8,13-14H,2,9-12H2,1H3
InChIKeyWJXBZDRECYKMMS-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.65
Rot. Bonds4

About ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate

ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate (PubChem CID 118573115) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate
PubChem CID118573115
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Nameethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C21H21N3O4/c1-2-28-21(26)17-13-16-5-3-4-8-24(16)19(17)18-7-6-15(14-22-18)20(25)23-9-11-27-12-10-23/h3-8,13-14H,2,9-12H2,1H3
InChIKeyWJXBZDRECYKMMS-UHFFFAOYSA-N
XLogP2.65
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate?
The IUPAC name of ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate (CID 118573115) is ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate is CCOC(=O)c1cc2ccccn2c1-c1ccc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate?
The InChIKey is WJXBZDRECYKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-2-28-21(26)17-13-16-5-3-4-8-24(16)19(17)18-7-6-15(14-22-18)20(25)23-9-11-27-12-10-23/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate?
ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(morpholine-4-carbonyl)-2-pyridinyl]indolizine-2-carboxylate is sourced from PubChem (CID 118573115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).