methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate

C11H16N4O3 — CID 66457291

IUPACmethyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC(=O)NC(C)C)n1
InChIInChI=1S/C11H16N4O3/c1-7(2)14-10(16)6-13-9-5-12-4-8(15-9)11(17)18-3/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYAVTWJCTWHIONG-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.20
Rot. Bonds5

About methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate

methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate (PubChem CID 66457291) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
PubChem CID66457291
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC(=O)NC(C)C)n1
InChIInChI=1S/C11H16N4O3/c1-7(2)14-10(16)6-13-9-5-12-4-8(15-9)11(17)18-3/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYAVTWJCTWHIONG-UHFFFAOYSA-N
XLogP0.20
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate
CID 114233017
methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
CID 113410686
methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
CID 66457721
5-[(6-methoxycarbonylpyrazin-2-yl)amino]-4-methylpentanoic acid
CID 82017322
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
CID 66449702
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
CID 66456931

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate (CID 66457291) is methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCC(=O)NC(C)C)n1.
What is the InChIKey of methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate?
The InChIKey is YAVTWJCTWHIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(2)14-10(16)6-13-9-5-12-4-8(15-9)11(17)18-3/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate?
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).