[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C17H19N5O4 — CID 7469205

IUPAC[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2nccnc2N)cc1
InChIInChI=1S/C17H19N5O4/c1-11-3-5-12(6-4-11)21-13(23)9-22(2)14(24)10-26-17(25)15-16(18)20-8-7-19-15/h3-8H,9-10H2,1-2H3,(H2,18,20)(H,21,23)
InChIKeyZUYGRJWFMIUXQN-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.62
Rot. Bonds6

About [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 7469205) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID7469205
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2nccnc2N)cc1
InChIInChI=1S/C17H19N5O4/c1-11-3-5-12(6-4-11)21-13(23)9-22(2)14(24)10-26-17(25)15-16(18)20-8-7-19-15/h3-8H,9-10H2,1-2H3,(H2,18,20)(H,21,23)
InChIKeyZUYGRJWFMIUXQN-UHFFFAOYSA-N
XLogP0.62
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 7469205) is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate is Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2nccnc2N)cc1.
What is the InChIKey of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is ZUYGRJWFMIUXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-11-3-5-12(6-4-11)21-13(23)9-22(2)14(24)10-26-17(25)15-16(18)20-8-7-19-15/h3-8H,9-10H2,1-2H3,(H2,18,20)(H,21,23).
What are the key properties of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 7469205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).