methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate

C11H15N3O3 — CID 54980123

IUPACmethyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C11H15N3O3/c1-8-6-13-9(7-12-8)11(16)14(2)5-4-10(15)17-3/h6-7H,4-5H2,1-3H3
InChIKeySFQFXUYZGLYUEO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.42
Rot. Bonds4

About methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate

methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate (PubChem CID 54980123) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate
PubChem CID54980123
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C11H15N3O3/c1-8-6-13-9(7-12-8)11(16)14(2)5-4-10(15)17-3/h6-7H,4-5H2,1-3H3
InChIKeySFQFXUYZGLYUEO-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-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
CID 55003335
methyl 3-[(5-carbamothioylpyridine-2-carbonyl)-methylamino]propanoate
CID 63749737
N,N-diethylethanamine;N-methoxy-N,5-dimethylpyrazine-2-carboxamide
CID 158794501
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
N,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 77082230
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate
CID 63850703
methyl 3-[(2,3-difluoropyridine-4-carbonyl)-methylamino]propanoate
CID 105381063
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783088
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate (CID 54980123) is methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)c1cnc(C)cn1.
What is the InChIKey of methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate?
The InChIKey is SFQFXUYZGLYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-6-13-9(7-12-8)11(16)14(2)5-4-10(15)17-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate?
methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate 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 methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 54980123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).