5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

C21H19ClN4O2 — CID 109285808

IUPAC5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)NCCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)16-4-8-18(9-5-16)26-20-13-24-19(12-25-20)21(28)23-11-10-15-2-6-17(22)7-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,28)(H,25,26)
InChIKeySAQZUIWATFVHBV-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.05
Rot. Bonds7

About 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109285808) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109285808
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2cnc(C(=O)NCCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)16-4-8-18(9-5-16)26-20-13-24-19(12-25-20)21(28)23-11-10-15-2-6-17(22)7-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,28)(H,25,26)
InChIKeySAQZUIWATFVHBV-UHFFFAOYSA-N
XLogP4.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109289139
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (CID 109285808) is 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is CC(=O)c1ccc(Nc2cnc(C(=O)NCCc3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SAQZUIWATFVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)16-4-8-18(9-5-16)26-20-13-24-19(12-25-20)21(28)23-11-10-15-2-6-17(22)7-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,28)(H,25,26).
What are the key properties of 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109285808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).