methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate

C16H17N3O3 — CID 119052947

IUPACmethyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)N(Cc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C16H17N3O3/c1-12(16(21)22-2)19(11-13-6-4-3-5-7-13)15(20)14-10-17-8-9-18-14/h3-10,12H,11H2,1-2H3
InChIKeyOPBINDSJLHKWKA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.68
Rot. Bonds5

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

methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate (PubChem CID 119052947) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate
PubChem CID119052947
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)N(Cc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C16H17N3O3/c1-12(16(21)22-2)19(11-13-6-4-3-5-7-13)15(20)14-10-17-8-9-18-14/h3-10,12H,11H2,1-2H3
InChIKeyOPBINDSJLHKWKA-UHFFFAOYSA-N
XLogP1.68
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[benzyl-(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 84595551
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 650692
N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1174495
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434676
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 1435572
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate (CID 119052947) is methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate is COC(=O)C(C)N(Cc1ccccc1)C(=O)c1cnccn1.
What is the InChIKey of methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate?
The InChIKey is OPBINDSJLHKWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-12(16(21)22-2)19(11-13-6-4-3-5-7-13)15(20)14-10-17-8-9-18-14/h3-10,12H,11H2,1-2H3.
What are the key properties of methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate?
methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate has a molecular weight of 299.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 119052947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).