2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate

C20H21ClN4O5 — CID 146442173

IUPAC2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C20H21ClN4O5/c1-22-20(29)30-11-10-24-8-9-25-16(19(24)28)7-6-15(18(25)27)17(26)23-12-13-2-4-14(21)5-3-13/h2-7H,8-12H2,1H3,(H,22,29)(H,23,26)
InChIKeyCWDDBISGEYYLOE-UHFFFAOYSA-N
MW432.86 g/mol
LogP1.24
Rot. Bonds6

About 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate

2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate (PubChem CID 146442173) has the molecular formula C20H21ClN4O5 and a molecular weight of 432.86 g/mol. Its IUPAC name is 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate
PubChem CID146442173
Molecular FormulaC20H21ClN4O5
Molecular Weight432.86 g/mol
Exact Mass432.12
IUPAC Name2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C20H21ClN4O5/c1-22-20(29)30-11-10-24-8-9-25-16(19(24)28)7-6-15(18(25)27)17(26)23-12-13-2-4-14(21)5-3-13/h2-7H,8-12H2,1H3,(H,22,29)(H,23,26)
InChIKeyCWDDBISGEYYLOE-UHFFFAOYSA-N
XLogP1.24
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate?
The IUPAC name of 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate (CID 146442173) is 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate is CNC(=O)OCCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O.
What is the InChIKey of 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate?
The InChIKey is CWDDBISGEYYLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5/c1-22-20(29)30-11-10-24-8-9-25-16(19(24)28)7-6-15(18(25)27)17(26)23-12-13-2-4-14(21)5-3-13/h2-7H,8-12H2,1H3,(H,22,29)(H,23,26).
What are the key properties of 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate?
2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate has a molecular weight of 432.86 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl N-methylcarbamate is sourced from PubChem (CID 146442173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).