4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C21H15FN4O2 — CID 134796970

IUPAC4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H15FN4O2/c22-15-8-10-16(11-9-15)24-20(27)18-21(28)26(13-14-5-2-1-3-6-14)19-17(25-18)7-4-12-23-19/h1-12H,13H2,(H,24,27)
InChIKeyBOSPWZFJLPKAAW-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.23
Rot. Bonds4

About 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134796970) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134796970
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H15FN4O2/c22-15-8-10-16(11-9-15)24-20(27)18-21(28)26(13-14-5-2-1-3-6-14)19-17(25-18)7-4-12-23-19/h1-12H,13H2,(H,24,27)
InChIKeyBOSPWZFJLPKAAW-UHFFFAOYSA-N
XLogP3.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134796970) is 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1nc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is BOSPWZFJLPKAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-15-8-10-16(11-9-15)24-20(27)18-21(28)26(13-14-5-2-1-3-6-14)19-17(25-18)7-4-12-23-19/h1-12H,13H2,(H,24,27).
What are the key properties of 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134796970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).