2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one

C20H14N4O3 — CID 22724113

IUPAC2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O3/c25-20-18(12-14-6-2-1-3-7-14)22-17-10-5-11-21-19(17)23(20)15-8-4-9-16(13-15)24(26)27/h1-11,13H,12H2
InChIKeyFOHLKAXBZOFGDJ-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.28
Rot. Bonds4

About 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one

2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 22724113) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID22724113
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O3/c25-20-18(12-14-6-2-1-3-7-14)22-17-10-5-11-21-19(17)23(20)15-8-4-9-16(13-15)24(26)27/h1-11,13H,12H2
InChIKeyFOHLKAXBZOFGDJ-UHFFFAOYSA-N
XLogP3.28
TPSA90.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22723985
2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22724339
3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)benzonitrile
CID 22724172
N-[3-(2-benzyl-3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]-N-methylacetamide
CID 22724379
2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one
CID 67692684
4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
CID 22724109
1-(3-nitrophenyl)-3-(3-pyridin-2-ylpropyl)-1,8-naphthyridin-2-one
CID 18002620
N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 54366064
2-(imidazol-1-ylmethyl)-4-(3-phenylphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22724344
1-(3-nitrophenyl)-3-[3-(1,3-thiazol-2-yl)propyl]-1,8-naphthyridin-2-one
CID 18002631
N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide
CID 22724013
1-(3-nitrophenyl)-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12764179

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one (CID 22724113) is 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one is O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is FOHLKAXBZOFGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-20-18(12-14-6-2-1-3-7-14)22-17-10-5-11-21-19(17)23(20)15-8-4-9-16(13-15)24(26)27/h1-11,13H,12H2.
What are the key properties of 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one?
2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 358.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-nitrophenyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22724113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).