5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide

C17H11Cl3N4O — CID 109292809

IUPAC5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cnc(Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H11Cl3N4O/c18-10-3-1-4-11(7-10)23-15-9-21-14(8-22-15)17(25)24-16-12(19)5-2-6-13(16)20/h1-9H,(H,22,23)(H,24,25)
InChIKeyMUDOAXBQIUSZIB-UHFFFAOYSA-N
MW393.66 g/mol
LogP5.43
Rot. Bonds4

About 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide

5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide (PubChem CID 109292809) has the molecular formula C17H11Cl3N4O and a molecular weight of 393.66 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
PubChem CID109292809
Molecular FormulaC17H11Cl3N4O
Molecular Weight393.66 g/mol
Exact Mass392.00
IUPAC Name5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cnc(Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H11Cl3N4O/c18-10-3-1-4-11(7-10)23-15-9-21-14(8-22-15)17(25)24-16-12(19)5-2-6-13(16)20/h1-9H,(H,22,23)(H,24,25)
InChIKeyMUDOAXBQIUSZIB-UHFFFAOYSA-N
XLogP5.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide (CID 109292809) is 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cnc(Nc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide?
The InChIKey is MUDOAXBQIUSZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O/c18-10-3-1-4-11(7-10)23-15-9-21-14(8-22-15)17(25)24-16-12(19)5-2-6-13(16)20/h1-9H,(H,22,23)(H,24,25).
What are the key properties of 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide?
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide has a molecular weight of 393.66 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).