5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide

C18H14ClFN4O — CID 109293178

IUPAC5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3cccc(F)c3)cn2)cc1Cl
InChIInChI=1S/C18H14ClFN4O/c1-11-5-6-14(8-15(11)19)23-17-10-21-16(9-22-17)18(25)24-13-4-2-3-12(20)7-13/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyWXSHITLVWRAOHR-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.57
Rot. Bonds4

About 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide

5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109293178) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109293178
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3cccc(F)c3)cn2)cc1Cl
InChIInChI=1S/C18H14ClFN4O/c1-11-5-6-14(8-15(11)19)23-17-10-21-16(9-22-17)18(25)24-13-4-2-3-12(20)7-13/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyWXSHITLVWRAOHR-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293359
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide (CID 109293178) is 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)Nc3cccc(F)c3)cn2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is WXSHITLVWRAOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-11-5-6-14(8-15(11)19)23-17-10-21-16(9-22-17)18(25)24-13-4-2-3-12(20)7-13/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).