5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide

C18H14Cl2N4O — CID 109292659

IUPAC5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-6-7-12(19)8-15(11)24-18(25)16-9-22-17(10-21-16)23-14-5-3-2-4-13(14)20/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyZIUQBAGKYUTUEJ-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide

5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109292659) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109292659
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-6-7-12(19)8-15(11)24-18(25)16-9-22-17(10-21-16)23-14-5-3-2-4-13(14)20/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyZIUQBAGKYUTUEJ-UHFFFAOYSA-N
XLogP5.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide (CID 109292659) is 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cnc(Nc2ccccc2Cl)cn1.
What is the InChIKey of 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZIUQBAGKYUTUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-6-7-12(19)8-15(11)24-18(25)16-9-22-17(10-21-16)23-14-5-3-2-4-13(14)20/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide?
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).