ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate

C20H21N3O5 — CID 109082942

IUPACethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)N2CCOCC2)ccn1
InChIInChI=1S/C20H21N3O5/c1-2-28-20(26)15-5-3-4-6-16(15)22-18(24)17-13-14(7-8-21-17)19(25)23-9-11-27-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24)
InChIKeyHLZJYQFPPQCDMC-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.98
Rot. Bonds5

About ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate

ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109082942) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate
PubChem CID109082942
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Nameethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)N2CCOCC2)ccn1
InChIInChI=1S/C20H21N3O5/c1-2-28-20(26)15-5-3-4-6-16(15)22-18(24)17-13-14(7-8-21-17)19(25)23-9-11-27-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24)
InChIKeyHLZJYQFPPQCDMC-UHFFFAOYSA-N
XLogP1.98
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
N-(2-cyanophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082943
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
ethyl 2-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089636
ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109079172
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090611
N-(2,4-dichlorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082935
methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109081318
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate (CID 109082942) is ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)N2CCOCC2)ccn1.
What is the InChIKey of ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is HLZJYQFPPQCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-2-28-20(26)15-5-3-4-6-16(15)22-18(24)17-13-14(7-8-21-17)19(25)23-9-11-27-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate?
ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 383.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109082942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).