5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide

C20H17ClN4O3 — CID 109293322

IUPAC5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C20H17ClN4O3/c1-12(26)13-4-3-5-15(8-13)24-19-11-22-17(10-23-19)20(27)25-16-9-14(21)6-7-18(16)28-2/h3-11H,1-2H3,(H,23,24)(H,25,27)
InChIKeyISTCZPHDGRUOFE-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.34
Rot. Bonds6

About 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide

5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293322) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID109293322
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C20H17ClN4O3/c1-12(26)13-4-3-5-15(8-13)24-19-11-22-17(10-23-19)20(27)25-16-9-14(21)6-7-18(16)28-2/h3-11H,1-2H3,(H,23,24)(H,25,27)
InChIKeyISTCZPHDGRUOFE-UHFFFAOYSA-N
XLogP4.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109293781
5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293918
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109199643
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
N-(3-acetylphenyl)-4-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109221420
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
methyl 3-[[5-(4-chloro-2-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293109

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide (CID 109293322) is 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1.
What is the InChIKey of 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is ISTCZPHDGRUOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-12(26)13-4-3-5-15(8-13)24-19-11-22-17(10-23-19)20(27)25-16-9-14(21)6-7-18(16)28-2/h3-11H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide?
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).