2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide

C20H21Cl2N3O4 — CID 54705301

IUPAC2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C20H21Cl2N3O4/c1-3-23(4-2)19(28)15-10-16(26)18(27)17-20(29)24(7-8-25(15)17)11-12-5-6-13(21)14(22)9-12/h5-6,9-10,27H,3-4,7-8,11H2,1-2H3
InChIKeySIKIUCNJUWJPEZ-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.00
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide

2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide (PubChem CID 54705301) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
PubChem CID54705301
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C20H21Cl2N3O4/c1-3-23(4-2)19(28)15-10-16(26)18(27)17-20(29)24(7-8-25(15)17)11-12-5-6-13(21)14(22)9-12/h5-6,9-10,27H,3-4,7-8,11H2,1-2H3
InChIKeySIKIUCNJUWJPEZ-UHFFFAOYSA-N
XLogP3.00
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(2-methoxyethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54683908
5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875331
11-[(3,4-dichlorophenyl)methyl]-8-hydroxy-5-methyl-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
CID 54692335
5-[(4-chlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875171
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55978200
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide
CID 54698980
2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-methylpropoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54685052
2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 142901503
6-azido-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54725389
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 9147001
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
CID 56553596

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide (CID 54705301) is 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide is CCN(CC)C(=O)c1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
The InChIKey is SIKIUCNJUWJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4/c1-3-23(4-2)19(28)15-10-16(26)18(27)17-20(29)24(7-8-25(15)17)11-12-5-6-13(21)14(22)9-12/h5-6,9-10,27H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide has a molecular weight of 438.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 54705301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).