[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate

C21H20N4O4 — CID 46675416

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)c1nccnc1N)c1ccccc1
InChIInChI=1S/C21H20N4O4/c1-13-8-9-16(28-2)15(12-13)25-20(26)18(14-6-4-3-5-7-14)29-21(27)17-19(22)24-11-10-23-17/h3-12,18H,1-2H3,(H2,22,24)(H,25,26)
InChIKeyDFOUKNAXMJNDIQ-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.91
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 46675416) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
PubChem CID46675416
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)c1nccnc1N)c1ccccc1
InChIInChI=1S/C21H20N4O4/c1-13-8-9-16(28-2)15(12-13)25-20(26)18(14-6-4-3-5-7-14)29-21(27)17-19(22)24-11-10-23-17/h3-12,18H,1-2H3,(H2,22,24)(H,25,26)
InChIKeyDFOUKNAXMJNDIQ-UHFFFAOYSA-N
XLogP2.91
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate with MolForge

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
CID 4803801
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 1H-indazole-3-carboxylate
CID 7649472
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-4-methylbenzoate
CID 42966348
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-chloro-4,5-dimethoxybenzoate
CID 42978003
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791749
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-methylsulfonylbenzoate
CID 2665441
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate
CID 7667717
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 3600454
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methylbenzoyl)benzoate
CID 3518860
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate (CID 46675416) is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate is COc1ccc(C)cc1NC(=O)C(OC(=O)c1nccnc1N)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is DFOUKNAXMJNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-8-9-16(28-2)15(12-13)25-20(26)18(14-6-4-3-5-7-14)29-21(27)17-19(22)24-11-10-23-17/h3-12,18H,1-2H3,(H2,22,24)(H,25,26).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 392.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 46675416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).