5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide

C18H14Cl2N4O — CID 109292823

IUPAC5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cnc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-8-13(20)4-7-15(11)24-17-10-21-16(9-22-17)18(25)23-14-5-2-12(19)3-6-14/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeySZXXJNQODPMXLL-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide

5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 109292823) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
PubChem CID109292823
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cnc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-8-13(20)4-7-15(11)24-17-10-21-16(9-22-17)18(25)23-14-5-2-12(19)3-6-14/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeySZXXJNQODPMXLL-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

N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
methyl 3-[[5-(4-chloro-2-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293109
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293034
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide (CID 109292823) is 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide is Cc1cc(Cl)ccc1Nc1cnc(C(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is SZXXJNQODPMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-8-13(20)4-7-15(11)24-17-10-21-16(9-22-17)18(25)23-14-5-2-12(19)3-6-14/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)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-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).