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

C18H15FN4O — CID 109290130

IUPACN-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-2-6-14(7-3-12)22-17-11-20-16(10-21-17)18(24)23-15-8-4-13(19)5-9-15/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyAAKCGMBNLWMXQJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

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

N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide (PubChem CID 109290130) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
PubChem CID109290130
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-2-6-14(7-3-12)22-17-11-20-16(10-21-17)18(24)23-15-8-4-13(19)5-9-15/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyAAKCGMBNLWMXQJ-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide (CID 109290130) is N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)Nc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
The InChIKey is AAKCGMBNLWMXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-2-6-14(7-3-12)22-17-11-20-16(10-21-17)18(24)23-15-8-4-13(19)5-9-15/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).