N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C21H25ClN4O5S — CID 146442196

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCS(=O)(=O)NCCN1C(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CC1C
InChIInChI=1S/C21H25ClN4O5S/c1-3-32(30,31)24-10-11-25-14(2)13-26-18(21(25)29)9-8-17(20(26)28)19(27)23-12-15-4-6-16(22)7-5-15/h4-9,14,24H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyXUFXIEODFNYCOP-UHFFFAOYSA-N
MW480.97 g/mol
LogP1.22
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146442196) has the molecular formula C21H25ClN4O5S and a molecular weight of 480.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146442196
Molecular FormulaC21H25ClN4O5S
Molecular Weight480.97 g/mol
Exact Mass480.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCS(=O)(=O)NCCN1C(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CC1C
InChIInChI=1S/C21H25ClN4O5S/c1-3-32(30,31)24-10-11-25-14(2)13-26-18(21(25)29)9-8-17(20(26)28)19(27)23-12-15-4-6-16(22)7-5-15/h4-9,14,24H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyXUFXIEODFNYCOP-UHFFFAOYSA-N
XLogP1.22
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[acetyl(methyl)amino]ethyl]-N-[(4-chlorophenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461477
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153461526
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159219345
5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide
CID 175177057
N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 53142858
1-[(4-chlorophenyl)methyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55767047
N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 150373435
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108507737
6-N-benzyl-2-N-[(4-chlorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758684
N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 160951589
tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate
CID 151599876

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146442196) is N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CCS(=O)(=O)NCCN1C(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CC1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is XUFXIEODFNYCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O5S/c1-3-32(30,31)24-10-11-25-14(2)13-26-18(21(25)29)9-8-17(20(26)28)19(27)23-12-15-4-6-16(22)7-5-15/h4-9,14,24H,3,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 480.97 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146442196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).