methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate

C11H14N4O3 — CID 66457122

IUPACmethyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H14N4O3/c1-18-11(17)8-5-12-6-9(15-8)14-7-2-3-10(16)13-4-7/h5-7H,2-4H2,1H3,(H,13,16)(H,14,15)
InChIKeySDWWCADOEWKASR-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.05
Rot. Bonds3

About methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate

methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate (PubChem CID 66457122) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
PubChem CID66457122
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Namemethyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H14N4O3/c1-18-11(17)8-5-12-6-9(15-8)14-7-2-3-10(16)13-4-7/h5-7H,2-4H2,1H3,(H,13,16)(H,14,15)
InChIKeySDWWCADOEWKASR-UHFFFAOYSA-N
XLogP-0.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314
methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate
CID 166292064
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
CID 66457542
methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
CID 83028949
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
5-[(6-methoxy-2-pyridinyl)amino]piperidin-2-one
CID 63661949
ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
CID 63663382
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carboxylate
CID 106361866
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
methyl 2,3-difluoro-4-[(6-oxopiperidin-3-yl)amino]benzoate
CID 79837805

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate (CID 66457122) is methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCC(=O)NC2)n1.
What is the InChIKey of methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate?
The InChIKey is SDWWCADOEWKASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-18-11(17)8-5-12-6-9(15-8)14-7-2-3-10(16)13-4-7/h5-7H,2-4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate?
methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate has a molecular weight of 250.26 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).