ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate

C17H23N3O3 — CID 67981106

IUPACethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate
SMILESCCOC(=O)C12CCCC(NC(=O)c3cncc(C)n3)(CC1)C2
InChIInChI=1S/C17H23N3O3/c1-3-23-15(22)16-5-4-6-17(11-16,8-7-16)20-14(21)13-10-18-9-12(2)19-13/h9-10H,3-8,11H2,1-2H3,(H,20,21)
InChIKeyAQOVTWSRIBSJNU-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.17
Rot. Bonds4

About ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate

ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate (PubChem CID 67981106) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate
PubChem CID67981106
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate
SMILESCCOC(=O)C12CCCC(NC(=O)c3cncc(C)n3)(CC1)C2
InChIInChI=1S/C17H23N3O3/c1-3-23-15(22)16-5-4-6-17(11-16,8-7-16)20-14(21)13-10-18-9-12(2)19-13/h9-10H,3-8,11H2,1-2H3,(H,20,21)
InChIKeyAQOVTWSRIBSJNU-UHFFFAOYSA-N
XLogP2.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate (CID 67981106) is ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate is CCOC(=O)C12CCCC(NC(=O)c3cncc(C)n3)(CC1)C2.
What is the InChIKey of ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is AQOVTWSRIBSJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-23-15(22)16-5-4-6-17(11-16,8-7-16)20-14(21)13-10-18-9-12(2)19-13/h9-10H,3-8,11H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate?
ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 67981106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).