5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide

C21H19ClN4O2 — CID 109289139

IUPAC5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NCCc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)16-5-3-7-18(11-16)26-20-13-24-19(12-25-20)21(28)23-9-8-15-4-2-6-17(22)10-15/h2-7,10-13H,8-9H2,1H3,(H,23,28)(H,25,26)
InChIKeyPOKUSMRPKKFVJC-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.05
Rot. Bonds7

About 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide

5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109289139) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109289139
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NCCc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)16-5-3-7-18(11-16)26-20-13-24-19(12-25-20)21(28)23-9-8-15-4-2-6-17(22)10-15/h2-7,10-13H,8-9H2,1H3,(H,23,28)(H,25,26)
InChIKeyPOKUSMRPKKFVJC-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-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
6-(3-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109352397
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide (CID 109289139) is 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide is CC(=O)c1cccc(Nc2cnc(C(=O)NCCc3cccc(Cl)c3)cn2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is POKUSMRPKKFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)16-5-3-7-18(11-16)26-20-13-24-19(12-25-20)21(28)23-9-8-15-4-2-6-17(22)10-15/h2-7,10-13H,8-9H2,1H3,(H,23,28)(H,25,26).
What are the key properties of 5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide?
5-(3-acetylanilino)-N-[2-(3-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-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109289139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).