ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate

C30H36N6O2 — CID 6480506

IUPACethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(NCCCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C30H36N6O2/c1-4-36(5-2)20-14-13-19-31-24-21-25(33-30(37)38-6-3)32-29-28(24)34-26(22-15-9-7-10-16-22)27(35-29)23-17-11-8-12-18-23/h7-12,15-18,21H,4-6,13-14,19-20H2,1-3H3,(H2,31,32,33,35,37)
InChIKeyJAMASXYVIJBNCE-UHFFFAOYSA-N
MW512.66 g/mol
LogP6.46
Rot. Bonds12

About ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate

ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate (PubChem CID 6480506) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
PubChem CID6480506
Molecular FormulaC30H36N6O2
Molecular Weight512.66 g/mol
Exact Mass512.29
IUPAC Nameethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(NCCCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C30H36N6O2/c1-4-36(5-2)20-14-13-19-31-24-21-25(33-30(37)38-6-3)32-29-28(24)34-26(22-15-9-7-10-16-22)27(35-29)23-17-11-8-12-18-23/h7-12,15-18,21H,4-6,13-14,19-20H2,1-3H3,(H2,31,32,33,35,37)
InChIKeyJAMASXYVIJBNCE-UHFFFAOYSA-N
XLogP6.46
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
The IUPAC name of ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate (CID 6480506) is ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate.
What is the SMILES notation for ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
The canonical SMILES for ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate is CCOC(=O)Nc1cc(NCCCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1.
What is the InChIKey of ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
The InChIKey is JAMASXYVIJBNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-4-36(5-2)20-14-13-19-31-24-21-25(33-30(37)38-6-3)32-29-28(24)34-26(22-15-9-7-10-16-22)27(35-29)23-17-11-8-12-18-23/h7-12,15-18,21H,4-6,13-14,19-20H2,1-3H3,(H2,31,32,33,35,37).
What are the key properties of ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate has a molecular weight of 512.66 g/mol, XLogP of 6.46, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[8-[4-(diethylamino)butylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate is sourced from PubChem (CID 6480506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).