ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate

C14H19N3O4 — CID 110444216

IUPACethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)CN1CCOCC1
InChIInChI=1S/C14H19N3O4/c1-2-21-14(19)11-4-3-5-15-13(11)16-12(18)10-17-6-8-20-9-7-17/h3-5H,2,6-10H2,1H3,(H,15,16,18)
InChIKeyCFBNZLZOHIPACD-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.53
Rot. Bonds5

About ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate

ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate (PubChem CID 110444216) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate
PubChem CID110444216
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)CN1CCOCC1
InChIInChI=1S/C14H19N3O4/c1-2-21-14(19)11-4-3-5-15-13(11)16-12(18)10-17-6-8-20-9-7-17/h3-5H,2,6-10H2,1H3,(H,15,16,18)
InChIKeyCFBNZLZOHIPACD-UHFFFAOYSA-N
XLogP0.53
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate (CID 110444216) is ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(=O)CN1CCOCC1.
What is the InChIKey of ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate?
The InChIKey is CFBNZLZOHIPACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-14(19)11-4-3-5-15-13(11)16-12(18)10-17-6-8-20-9-7-17/h3-5H,2,6-10H2,1H3,(H,15,16,18).
What are the key properties of ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate?
ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 110444216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).