[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C22H20N4O5 — CID 16524529

IUPAC[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cnc(C)cn3)cc2)cc1
InChIInChI=1S/C22H20N4O5/c1-14-11-24-19(12-23-14)22(29)31-13-20(27)25-16-5-3-15(4-6-16)21(28)26-17-7-9-18(30-2)10-8-17/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPXPMMODJSIDZSJ-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.84
Rot. Bonds7

About [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 16524529) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID16524529
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cnc(C)cn3)cc2)cc1
InChIInChI=1S/C22H20N4O5/c1-14-11-24-19(12-23-14)22(29)31-13-20(27)25-16-5-3-15(4-6-16)21(28)26-17-7-9-18(30-2)10-8-17/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPXPMMODJSIDZSJ-UHFFFAOYSA-N
XLogP2.84
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 16524529) is [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cnc(C)cn3)cc2)cc1.
What is the InChIKey of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is PXPMMODJSIDZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-14-11-24-19(12-23-14)22(29)31-13-20(27)25-16-5-3-15(4-6-16)21(28)26-17-7-9-18(30-2)10-8-17/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 420.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 16524529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).