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

C21H23ClN4O5 — CID 147340352

IUPACmethyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C21H23ClN4O5/c1-24(21(30)31-2)9-10-25-11-12-26-17(20(25)29)8-7-16(19(26)28)18(27)23-13-14-3-5-15(22)6-4-14/h3-8H,9-13H2,1-2H3,(H,23,27)
InChIKeyDDIWRPZKSMTWOU-UHFFFAOYSA-N
MW446.89 g/mol
LogP1.59
Rot. Bonds6

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

methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate (PubChem CID 147340352) has the molecular formula C21H23ClN4O5 and a molecular weight of 446.89 g/mol. Its IUPAC name is methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate
PubChem CID147340352
Molecular FormulaC21H23ClN4O5
Molecular Weight446.89 g/mol
Exact Mass446.14
IUPAC Namemethyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C21H23ClN4O5/c1-24(21(30)31-2)9-10-25-11-12-26-17(20(25)29)8-7-16(19(26)28)18(27)23-13-14-3-5-15(22)6-4-14/h3-8H,9-13H2,1-2H3,(H,23,27)
InChIKeyDDIWRPZKSMTWOU-UHFFFAOYSA-N
XLogP1.59
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate (CID 147340352) is methyl N-[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 methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate is COC(=O)N(C)CCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O.
What is the InChIKey of methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
The InChIKey is DDIWRPZKSMTWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O5/c1-24(21(30)31-2)9-10-25-11-12-26-17(20(25)29)8-7-16(19(26)28)18(27)23-13-14-3-5-15(22)6-4-14/h3-8H,9-13H2,1-2H3,(H,23,27).
What are the key properties of methyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
methyl N-[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 446.89 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[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 147340352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).