methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate

C18H16N4O5 — CID 134800143

IUPACmethyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nc2cccnc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C18H16N4O5/c1-26-13-8-4-3-7-12(13)22-16-11(6-5-9-19-16)21-15(18(22)25)17(24)20-10-14(23)27-2/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyFIDAZUGJJXMPFP-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.69
Rot. Bonds5

About methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate

methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate (PubChem CID 134800143) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate
PubChem CID134800143
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Namemethyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nc2cccnc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C18H16N4O5/c1-26-13-8-4-3-7-12(13)22-16-11(6-5-9-19-16)21-15(18(22)25)17(24)20-10-14(23)27-2/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyFIDAZUGJJXMPFP-UHFFFAOYSA-N
XLogP0.69
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate (CID 134800143) is methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1nc2cccnc2n(-c2ccccc2OC)c1=O.
What is the InChIKey of methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate?
The InChIKey is FIDAZUGJJXMPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-26-13-8-4-3-7-12(13)22-16-11(6-5-9-19-16)21-15(18(22)25)17(24)20-10-14(23)27-2/h3-9H,10H2,1-2H3,(H,20,24).
What are the key properties of methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate?
methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate has a molecular weight of 368.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate is sourced from PubChem (CID 134800143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).