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

C18H17Cl2N3O4 — CID 54698980

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C18H17Cl2N3O4/c1-21(2)17(26)13-9-22(8-10-3-4-11(19)12(20)7-10)18(27)15-16(25)14(24)5-6-23(13)15/h3-7,13,25H,8-9H2,1-2H3
InChIKeyDWENGHCJNMEAFT-UHFFFAOYSA-N
MW410.26 g/mol
LogP2.15
Rot. Bonds3

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

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide (PubChem CID 54698980) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide
PubChem CID54698980
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C18H17Cl2N3O4/c1-21(2)17(26)13-9-22(8-10-3-4-11(19)12(20)7-10)18(27)15-16(25)14(24)5-6-23(13)15/h3-7,13,25H,8-9H2,1-2H3
InChIKeyDWENGHCJNMEAFT-UHFFFAOYSA-N
XLogP2.15
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide (CID 54698980) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide is CN(C)C(=O)C1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2c(O)c(=O)ccn21.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide?
The InChIKey is DWENGHCJNMEAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c1-21(2)17(26)13-9-22(8-10-3-4-11(19)12(20)7-10)18(27)15-16(25)14(24)5-6-23(13)15/h3-7,13,25H,8-9H2,1-2H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide has a molecular weight of 410.26 g/mol, XLogP of 2.15, 3 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]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide is sourced from PubChem (CID 54698980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).