[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate

C21H19N3O4 — CID 2338227

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C21H19N3O4/c1-15-11-23-19(12-22-15)21(26)28-14-20(25)24-17-7-9-18(10-8-17)27-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyUEGHCRCCUFCLQV-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.16
Rot. Bonds7

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2338227) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2338227
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C21H19N3O4/c1-15-11-23-19(12-22-15)21(26)28-14-20(25)24-17-7-9-18(10-8-17)27-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyUEGHCRCCUFCLQV-UHFFFAOYSA-N
XLogP3.16
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 862101
N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 862103
N-(m-Tolyl)-6-(4-ethoxyphenyl)-pyrazine-2-carboxamide
CID 52947201
N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 862099
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 4827681
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
Pyrazine-2-carboxylic acid, (6-ethoxy-2-oxo-1,2-dihydroquinolin-3-ylmethyl)-phenethylamide
CID 649672
N-(2-phenoxyethyl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11661782
Nicotinic acid (4-ethoxy-phenylcarbamoyl)-methyl ester
CID 649387
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2336561
[2-(5-Tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337072

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate (CID 2338227) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is UEGHCRCCUFCLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-15-11-23-19(12-22-15)21(26)28-14-20(25)24-17-7-9-18(10-8-17)27-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2338227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).