5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide

C17H22N4O2 — CID 109286788

IUPAC5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide
SMILESCCOc1ccccc1Nc1cnc(C(=O)N(CC)CC)cn1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)17(22)14-11-19-16(12-18-14)20-13-9-7-8-10-15(13)23-6-3/h7-12H,4-6H2,1-3H3,(H,19,20)
InChIKeyHXMOKLWDHBEEIT-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.10
Rot. Bonds7

About 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide

5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide (PubChem CID 109286788) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide
PubChem CID109286788
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide
SMILESCCOc1ccccc1Nc1cnc(C(=O)N(CC)CC)cn1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)17(22)14-11-19-16(12-18-14)20-13-9-7-8-10-15(13)23-6-3/h7-12H,4-6H2,1-3H3,(H,19,20)
InChIKeyHXMOKLWDHBEEIT-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethoxyanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290242
6-(2-ethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124452
5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287022
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
5-(2,6-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286839
5-(2,4-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286836
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide (CID 109286788) is 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide is CCOc1ccccc1Nc1cnc(C(=O)N(CC)CC)cn1.
What is the InChIKey of 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide?
The InChIKey is HXMOKLWDHBEEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-21(5-2)17(22)14-11-19-16(12-18-14)20-13-9-7-8-10-15(13)23-6-3/h7-12H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide?
5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide is sourced from PubChem (CID 109286788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).