methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate

C15H26N4O2 — CID 102994007

IUPACmethyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
SMILESCCN(CC)CCCN(CC)c1cncc(C(=O)OC)n1
InChIInChI=1S/C15H26N4O2/c1-5-18(6-2)9-8-10-19(7-3)14-12-16-11-13(17-14)15(20)21-4/h11-12H,5-10H2,1-4H3
InChIKeySTBWIKPLSIOSPC-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.82
Rot. Bonds9

About methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate

methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate (PubChem CID 102994007) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
PubChem CID102994007
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Namemethyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
SMILESCCN(CC)CCCN(CC)c1cncc(C(=O)OC)n1
InChIInChI=1S/C15H26N4O2/c1-5-18(6-2)9-8-10-19(7-3)14-12-16-11-13(17-14)15(20)21-4/h11-12H,5-10H2,1-4H3
InChIKeySTBWIKPLSIOSPC-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate (CID 102994007) is methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate is CCN(CC)CCCN(CC)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate?
The InChIKey is STBWIKPLSIOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-18(6-2)9-8-10-19(7-3)14-12-16-11-13(17-14)15(20)21-4/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate?
methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 102994007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).