N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide

C18H14F2N4O — CID 109279773

IUPACN-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C18H14F2N4O/c19-13-6-7-15(14(20)8-13)24-17-11-21-16(10-22-17)18(25)23-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyVBUXMZIUGQYQGW-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide

N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide (PubChem CID 109279773) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
PubChem CID109279773
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC NameN-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C18H14F2N4O/c19-13-6-7-15(14(20)8-13)24-17-11-21-16(10-22-17)18(25)23-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,22,24)(H,23,25)
InChIKeyVBUXMZIUGQYQGW-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277881
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
methyl 2-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109281638
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide (CID 109279773) is N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide is O=C(NCc1ccccc1)c1cnc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
The InChIKey is VBUXMZIUGQYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-13-6-7-15(14(20)8-13)24-17-11-21-16(10-22-17)18(25)23-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide?
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).