2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C20H21FN4O5 — CID 68677713

IUPAC2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(C)C(=O)CN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O
InChIInChI=1S/C20H21FN4O5/c1-23(2)15(26)11-25-8-7-24-10-14(17(27)18(28)16(24)20(25)30)19(29)22-9-12-3-5-13(21)6-4-12/h3-6,10,28H,7-9,11H2,1-2H3,(H,22,29)
InChIKeyXQMQKLDWDODBIZ-UHFFFAOYSA-N
MW416.41 g/mol
LogP0.17
Rot. Bonds5

About 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 68677713) has the molecular formula C20H21FN4O5 and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID68677713
Molecular FormulaC20H21FN4O5
Molecular Weight416.41 g/mol
Exact Mass416.15
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(C)C(=O)CN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O
InChIInChI=1S/C20H21FN4O5/c1-23(2)15(26)11-25-8-7-24-10-14(17(27)18(28)16(24)20(25)30)19(29)22-9-12-3-5-13(21)6-4-12/h3-6,10,28H,7-9,11H2,1-2H3,(H,22,29)
InChIKeyXQMQKLDWDODBIZ-UHFFFAOYSA-N
XLogP0.17
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 68677713) is 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CN(C)C(=O)CN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is XQMQKLDWDODBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O5/c1-23(2)15(26)11-25-8-7-24-10-14(17(27)18(28)16(24)20(25)30)19(29)22-9-12-3-5-13(21)6-4-12/h3-6,10,28H,7-9,11H2,1-2H3,(H,22,29).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 68677713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).