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

C18H14ClFN4O2 — CID 109292477

IUPAC5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3ccc(F)cc3)cn2)cc1Cl
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-7-6-13(8-14(16)19)23-17-10-21-15(9-22-17)18(25)24-12-4-2-11(20)3-5-12/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyYNBGMCJYGRMHLP-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.27
Rot. Bonds5

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

5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109292477) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109292477
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3ccc(F)cc3)cn2)cc1Cl
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-7-6-13(8-14(16)19)23-17-10-21-15(9-22-17)18(25)24-12-4-2-11(20)3-5-12/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyYNBGMCJYGRMHLP-UHFFFAOYSA-N
XLogP4.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide (CID 109292477) is 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)Nc3ccc(F)cc3)cn2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is YNBGMCJYGRMHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-16-7-6-13(8-14(16)19)23-17-10-21-15(9-22-17)18(25)24-12-4-2-11(20)3-5-12/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).