ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate

C14H21N3O2 — CID 177322901

IUPACethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(NCC2CCCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)12-9-17-13(10-15-12)16-8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyACUBNMFGPCKWRM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.65
Rot. Bonds5

About ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate

ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate (PubChem CID 177322901) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate
PubChem CID177322901
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(NCC2CCCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)12-9-17-13(10-15-12)16-8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyACUBNMFGPCKWRM-UHFFFAOYSA-N
XLogP2.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate (CID 177322901) is ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate is CCOC(=O)c1cnc(NCC2CCCCC2)cn1.
What is the InChIKey of ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate?
The InChIKey is ACUBNMFGPCKWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14(18)12-9-17-13(10-15-12)16-8-11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate?
ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexylmethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 177322901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).