2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate

C18H23N5O3 — CID 110492639

IUPAC2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C18H23N5O3/c1-3-23(4-2)11-12-26-17(24)14-5-7-15(8-6-14)21-18(25)22-16-13-19-9-10-20-16/h5-10,13H,3-4,11-12H2,1-2H3,(H2,20,21,22,25)
InChIKeyPEGJQGOZWISHEZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.62
Rot. Bonds8

About 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate

2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate (PubChem CID 110492639) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate
PubChem CID110492639
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C18H23N5O3/c1-3-23(4-2)11-12-26-17(24)14-5-7-15(8-6-14)21-18(25)22-16-13-19-9-10-20-16/h5-10,13H,3-4,11-12H2,1-2H3,(H2,20,21,22,25)
InChIKeyPEGJQGOZWISHEZ-UHFFFAOYSA-N
XLogP2.62
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)ethyl 4-[[3-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-3-oxopropanoyl]amino]benzoate
CID 26846
2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 8961510
6-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-6-oxohexanoic acid
CID 178072250
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393
2-(diethylamino)ethyl 4-[3-(2-chlorophenoxy)propanoylamino]benzoate
CID 108789465
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride
CID 11756955
2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate
CID 4164579
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 4-[(4-methylthiadiazole-5-carbonyl)amino]benzoate
CID 21008218
azane;2-(diethylamino)ethyl 4-aminobenzoate;platinum(2+);dichloride;hydrochloride
CID 3073386
2-(diethylamino)ethyl 4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoate
CID 84552548

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate (CID 110492639) is 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate is CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cnccn2)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate?
The InChIKey is PEGJQGOZWISHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-23(4-2)11-12-26-17(24)14-5-7-15(8-6-14)21-18(25)22-16-13-19-9-10-20-16/h5-10,13H,3-4,11-12H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate?
2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate has a molecular weight of 357.41 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 110492639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).