methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate

C15H21N3O4 — CID 176931380

IUPACmethyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(C2(C)CC2)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21N3O4/c1-14(2,3)22-13(20)18-11-10(12(19)21-5)16-8-9(17-11)15(4)6-7-15/h8H,6-7H2,1-5H3,(H,17,18,20)
InChIKeyQIPHDGYGDPRQLM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.66
Rot. Bonds3

About methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate

methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate (PubChem CID 176931380) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate
PubChem CID176931380
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(C2(C)CC2)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21N3O4/c1-14(2,3)22-13(20)18-11-10(12(19)21-5)16-8-9(17-11)15(4)6-7-15/h8H,6-7H2,1-5H3,(H,17,18,20)
InChIKeyQIPHDGYGDPRQLM-UHFFFAOYSA-N
XLogP2.66
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 176943347
tert-butyl N-(1,2-dihydroazet-3-yl)carbamate
CID 68933246
tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate
CID 163562343
tert-butyl N-(5-bromo-3-ethanimidoylpyrazin-2-yl)carbamate
CID 143774918
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
[5-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 123134912
tert-butyl N-[5-fluoro-2-(1-methylcyclopropyl)oxy-4-pyridinyl]carbamate
CID 162439934
methyl 6-bromo-5-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 168977230
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate (CID 176931380) is methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate is COC(=O)c1ncc(C2(C)CC2)nc1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate?
The InChIKey is QIPHDGYGDPRQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-14(2,3)22-13(20)18-11-10(12(19)21-5)16-8-9(17-11)15(4)6-7-15/h8H,6-7H2,1-5H3,(H,17,18,20).
What are the key properties of methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate?
methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-methylcyclopropyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 176931380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).