5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide

C18H15FN4O — CID 109290035

IUPAC5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-6-8-13(9-7-12)22-18(24)16-10-21-17(11-20-16)23-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyZJRLRBLTLHDUJX-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

About 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide

5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109290035) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID109290035
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-6-8-13(9-7-12)22-18(24)16-10-21-17(11-20-16)23-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyZJRLRBLTLHDUJX-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-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292042
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 109290035) is 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3F)cn2)cc1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZJRLRBLTLHDUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-6-8-13(9-7-12)22-18(24)16-10-21-17(11-20-16)23-15-5-3-2-4-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
5-(2-fluoroanilino)-N-(4-methylphenyl)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 5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).