5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide

C17H20N4O2 — CID 109286799

IUPAC5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C17H20N4O2/c1-4-21(5-2)17(23)15-10-19-16(11-18-15)20-14-8-6-7-13(9-14)12(3)22/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyQQBZAPJCIJXGJV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds6

About 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide

5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide (PubChem CID 109286799) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
PubChem CID109286799
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C17H20N4O2/c1-4-21(5-2)17(23)15-10-19-16(11-18-15)20-14-8-6-7-13(9-14)12(3)22/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyQQBZAPJCIJXGJV-UHFFFAOYSA-N
XLogP2.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109282808
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
5-(2,6-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286839
1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
CID 109276512
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109289139
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280854
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide (CID 109286799) is 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide is CCN(CC)C(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1.
What is the InChIKey of 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide?
The InChIKey is QQBZAPJCIJXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-21(5-2)17(23)15-10-19-16(11-18-15)20-14-8-6-7-13(9-14)12(3)22/h6-11H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide?
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide is sourced from PubChem (CID 109286799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).