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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Related Compounds

4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620801
1-[(4-fluorophenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844218
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 50781087
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620241
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620786
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021549

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).