5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide

C19H15F3N4O — CID 109284313

IUPAC5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C19H15F3N4O/c20-13-5-6-16(15(22)9-13)26-18-11-24-17(10-25-18)19(27)23-8-7-12-3-1-2-4-14(12)21/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26)
InChIKeyNUOQNBDVOPLDNN-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.61
Rot. Bonds6

About 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide

5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284313) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284313
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C19H15F3N4O/c20-13-5-6-16(15(22)9-13)26-18-11-24-17(10-25-18)19(27)23-8-7-12-3-1-2-4-14(12)21/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26)
InChIKeyNUOQNBDVOPLDNN-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277881
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281677
5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284289
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide (CID 109284313) is 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccccc1F)c1cnc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is NUOQNBDVOPLDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-13-5-6-16(15(22)9-13)26-18-11-24-17(10-25-18)19(27)23-8-7-12-3-1-2-4-14(12)21/h1-6,9-11H,7-8H2,(H,23,27)(H,25,26).
What are the key properties of 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide?
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).