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

C20H23N3O4 — CID 118631868

IUPACN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(=O)c(O)c3n2CCN(C(C)C)C3=O)cc1
InChIInChI=1S/C20H23N3O4/c1-12(2)22-8-9-23-15(10-16(24)18(25)17(23)20(22)27)11-21-19(26)14-6-4-13(3)5-7-14/h4-7,10,12,25H,8-9,11H2,1-3H3,(H,21,26)
InChIKeyDYSVCIPYPPRISX-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.66
Rot. Bonds4

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

N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide (PubChem CID 118631868) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide
PubChem CID118631868
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(=O)c(O)c3n2CCN(C(C)C)C3=O)cc1
InChIInChI=1S/C20H23N3O4/c1-12(2)22-8-9-23-15(10-16(24)18(25)17(23)20(22)27)11-21-19(26)14-6-4-13(3)5-7-14/h4-7,10,12,25H,8-9,11H2,1-3H3,(H,21,26)
InChIKeyDYSVCIPYPPRISX-UHFFFAOYSA-N
XLogP1.66
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118621083
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-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
CID 144993912
N-[(3-chlorophenyl)methyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148732
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
N-[(4-fluoro-3-methylphenyl)methyl]-6-hydroxy-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680799
4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 53135397
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536

Frequently Asked Questions

What is the IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide (CID 118631868) is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cc(=O)c(O)c3n2CCN(C(C)C)C3=O)cc1.
What is the InChIKey of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide?
The InChIKey is DYSVCIPYPPRISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12(2)22-8-9-23-15(10-16(24)18(25)17(23)20(22)27)11-21-19(26)14-6-4-13(3)5-7-14/h4-7,10,12,25H,8-9,11H2,1-3H3,(H,21,26).
What are the key properties of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide?
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 118631868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).