ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate

C28H32N6O2 — CID 57399266

IUPACethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C28H32N6O2/c1-4-34(5-2)18-17-29-22-19-23(31-28(35)36-6-3)30-27-26(22)32-24(20-13-9-7-10-14-20)25(33-27)21-15-11-8-12-16-21/h7-16,19H,4-6,17-18H2,1-3H3,(H2,29,30,31,33,35)
InChIKeyYVQSJYXSHOBEEX-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.68
Rot. Bonds10

About ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate

ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate (PubChem CID 57399266) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
PubChem CID57399266
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Nameethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C28H32N6O2/c1-4-34(5-2)18-17-29-22-19-23(31-28(35)36-6-3)30-27-26(22)32-24(20-13-9-7-10-14-20)25(33-27)21-15-11-8-12-16-21/h7-16,19H,4-6,17-18H2,1-3H3,(H2,29,30,31,33,35)
InChIKeyYVQSJYXSHOBEEX-UHFFFAOYSA-N
XLogP5.68
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
The IUPAC name of ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate (CID 57399266) is ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate.
What is the SMILES notation for ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
The canonical SMILES for ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate is CCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1.
What is the InChIKey of ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
The InChIKey is YVQSJYXSHOBEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-4-34(5-2)18-17-29-22-19-23(31-28(35)36-6-3)30-27-26(22)32-24(20-13-9-7-10-14-20)25(33-27)21-15-11-8-12-16-21/h7-16,19H,4-6,17-18H2,1-3H3,(H2,29,30,31,33,35).
What are the key properties of ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate has a molecular weight of 484.60 g/mol, XLogP of 5.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate is sourced from PubChem (CID 57399266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).