ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate

C11H15N3O3 — CID 55003335

IUPACethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C11H15N3O3/c1-4-17-10(15)7-14(3)11(16)9-6-12-8(2)5-13-9/h5-6H,4,7H2,1-3H3
InChIKeyOVWHSQQEMLWFOO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.42
Rot. Bonds4

About ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate

ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate (PubChem CID 55003335) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
PubChem CID55003335
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C11H15N3O3/c1-4-17-10(15)7-14(3)11(16)9-6-12-8(2)5-13-9/h5-6H,4,7H2,1-3H3
InChIKeyOVWHSQQEMLWFOO-UHFFFAOYSA-N
XLogP0.42
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-N,5-dimethylpyrazine-2-carboxamide
CID 62686428
ethyl 2-[(5-cyanopyridine-2-carbonyl)-methylamino]acetate
CID 55231343
methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 54980123
ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
CID 112701078
N,N-diethylethanamine;N-methoxy-N,5-dimethylpyrazine-2-carboxamide
CID 158794501
ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
CID 115497697
N,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 77082230
ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
CID 63103255
ethyl 4-(5-methylpyrazin-2-yl)-2,4-dioxobutanoate
CID 23143526
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate (CID 55003335) is ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1cnc(C)cn1.
What is the InChIKey of ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
The InChIKey is OVWHSQQEMLWFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-4-17-10(15)7-14(3)11(16)9-6-12-8(2)5-13-9/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate is sourced from PubChem (CID 55003335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).