[6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate

C14H19N3O4 — CID 174674920

IUPAC[6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate
SMILESCC(=O)Oc1nc(C2CC2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O4/c1-8(18)20-12-11(17-13(19)21-14(2,3)4)15-7-10(16-12)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,15,17,19)
InChIKeyUYAMXFMWMNBRII-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.63
Rot. Bonds3

About [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate

[6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate (PubChem CID 174674920) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate.

Molecular Properties

Compound Name[6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate
PubChem CID174674920
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate
SMILESCC(=O)Oc1nc(C2CC2)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O4/c1-8(18)20-12-11(17-13(19)21-14(2,3)4)15-7-10(16-12)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,15,17,19)
InChIKeyUYAMXFMWMNBRII-UHFFFAOYSA-N
XLogP2.63
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate?
The IUPAC name of [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate (CID 174674920) is [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate.
What is the SMILES notation for [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate?
The canonical SMILES for [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate is CC(=O)Oc1nc(C2CC2)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate?
The InChIKey is UYAMXFMWMNBRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8(18)20-12-11(17-13(19)21-14(2,3)4)15-7-10(16-12)9-5-6-9/h7,9H,5-6H2,1-4H3,(H,15,17,19).
What are the key properties of [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate?
[6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate has a molecular weight of 293.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl] acetate is sourced from PubChem (CID 174674920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).