methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate

C17H26N4O4 — CID 67218078

IUPACmethyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C17H26N4O4/c1-17(2,3)25-16(23)21-12-7-5-11(6-8-12)20-14-10-18-13(9-19-14)15(22)24-4/h9-12H,5-8H2,1-4H3,(H,19,20)(H,21,23)
InChIKeySBZJMNPBMYJKFF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.51
Rot. Bonds4

About methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate

methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate (PubChem CID 67218078) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
PubChem CID67218078
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Namemethyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C17H26N4O4/c1-17(2,3)25-16(23)21-12-7-5-11(6-8-12)20-14-10-18-13(9-19-14)15(22)24-4/h9-12H,5-8H2,1-4H3,(H,19,20)(H,21,23)
InChIKeySBZJMNPBMYJKFF-UHFFFAOYSA-N
XLogP2.51
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate
CID 153347673
methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
CID 114118099
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
CID 172829952
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 146882600
tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate
CID 100672357
tert-butyl 5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pyrazine-2-carboxylate
CID 119037503
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
tert-butyl N-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]carbamate
CID 107648652

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate (CID 67218078) is methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate?
The InChIKey is SBZJMNPBMYJKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-17(2,3)25-16(23)21-12-7-5-11(6-8-12)20-14-10-18-13(9-19-14)15(22)24-4/h9-12H,5-8H2,1-4H3,(H,19,20)(H,21,23).
What are the key properties of methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate?
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 67218078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).