4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide

C20H20N4O4 — CID 118633336

IUPAC4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide
SMILESCC(C)N1CCn2c(CNC(=O)c3ccc(C#N)cc3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C20H20N4O4/c1-12(2)23-7-8-24-15(9-16(25)18(26)17(24)20(23)28)11-22-19(27)14-5-3-13(10-21)4-6-14/h3-6,9,12,26H,7-8,11H2,1-2H3,(H,22,27)
InChIKeyNVKIZAJEUOKACU-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.22
Rot. Bonds4

About 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide

4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide (PubChem CID 118633336) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide
PubChem CID118633336
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide
SMILESCC(C)N1CCn2c(CNC(=O)c3ccc(C#N)cc3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C20H20N4O4/c1-12(2)23-7-8-24-15(9-16(25)18(26)17(24)20(23)28)11-22-19(27)14-5-3-13(10-21)4-6-14/h3-6,9,12,26H,7-8,11H2,1-2H3,(H,22,27)
InChIKeyNVKIZAJEUOKACU-UHFFFAOYSA-N
XLogP1.22
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide
CID 118631868
N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118621071
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane
CID 145301935
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide (CID 118633336) is 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide is CC(C)N1CCn2c(CNC(=O)c3ccc(C#N)cc3)cc(=O)c(O)c2C1=O.
What is the InChIKey of 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide?
The InChIKey is NVKIZAJEUOKACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12(2)23-7-8-24-15(9-16(25)18(26)17(24)20(23)28)11-22-19(27)14-5-3-13(10-21)4-6-14/h3-6,9,12,26H,7-8,11H2,1-2H3,(H,22,27).
What are the key properties of 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide?
4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzamide is sourced from PubChem (CID 118633336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).