methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate

C11H15N3O3 — CID 54899038

IUPACmethyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cnccn1
InChIInChI=1S/C11H15N3O3/c1-3-14(7-4-10(15)17-2)11(16)9-8-12-5-6-13-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyAYZMKBDZPZTPTH-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.50
Rot. Bonds5

About methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate

methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate (PubChem CID 54899038) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
PubChem CID54899038
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cnccn1
InChIInChI=1S/C11H15N3O3/c1-3-14(7-4-10(15)17-2)11(16)9-8-12-5-6-13-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyAYZMKBDZPZTPTH-UHFFFAOYSA-N
XLogP0.50
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
CID 62005961
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 42783231
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate (CID 54899038) is methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)c1cnccn1.
What is the InChIKey of methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate?
The InChIKey is AYZMKBDZPZTPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-14(7-4-10(15)17-2)11(16)9-8-12-5-6-13-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate?
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate has a molecular weight of 237.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 54899038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).