[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C15H15N3O3 — CID 2337979

IUPAC[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-10-4-3-5-12(6-10)18-14(19)9-21-15(20)13-8-16-11(2)7-17-13/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLSMTXRYVLHAJIR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.89
Rot. Bonds4

About [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2337979) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2337979
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-10-4-3-5-12(6-10)18-14(19)9-21-15(20)13-8-16-11(2)7-17-13/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLSMTXRYVLHAJIR-UHFFFAOYSA-N
XLogP1.89
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760422
[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337047
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 7760622
[2-(4-cyanoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2356445
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2498004
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950221
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2354785

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2337979) is [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is LSMTXRYVLHAJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-4-3-5-12(6-10)18-14(19)9-21-15(20)13-8-16-11(2)7-17-13/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2337979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).