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

C54H60N12O4 — CID 144990570

IUPACethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1.CCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C28H32N6O2.C26H28N6O2/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;1-4-34-26(33)29-21-17-20(27-15-16-32(2)3)24-25(28-21)31-23(19-13-9-6-10-14-19)22(30-24)18-11-7-5-8-12-18/h7-16,19H,4-6,17-18H2,1-3H3,(H2,29,30,31,33,35);5-14,17H,4,15-16H2,1-3H3,(H2,27,28,29,31,33)
InChIKeyXEPVZEVNOVHPQJ-UHFFFAOYSA-N
MW941.15 g/mol
LogP10.58
Rot. Bonds18

About ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate;ethyl N-[8-[2-(dimethylamino)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;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate (PubChem CID 144990570) has the molecular formula C54H60N12O4 and a molecular weight of 941.15 g/mol. Its IUPAC name is ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate;ethyl N-[8-[2-(dimethylamino)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;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
PubChem CID144990570
Molecular FormulaC54H60N12O4
Molecular Weight941.15 g/mol
Exact Mass940.49
IUPAC Nameethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1.CCOC(=O)Nc1cc(NCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C28H32N6O2.C26H28N6O2/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;1-4-34-26(33)29-21-17-20(27-15-16-32(2)3)24-25(28-21)31-23(19-13-9-6-10-14-19)22(30-24)18-11-7-5-8-12-18/h7-16,19H,4-6,17-18H2,1-3H3,(H2,29,30,31,33,35);5-14,17H,4,15-16H2,1-3H3,(H2,27,28,29,31,33)
InChIKeyXEPVZEVNOVHPQJ-UHFFFAOYSA-N
XLogP10.58
TPSA184.54 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.15
LogP ≤ 510.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate with MolForge

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Related Compounds

ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
ethyl N-[6-methyl-5-nitro-4-(4-phenylbutylamino)-2-pyridinyl]carbamate
CID 5277394
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride
CID 20975759
benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68562142
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
2-(diethylamino)ethyl N-(2-phenylphenyl)carbamate
CID 24836570
ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
CID 158958595
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313

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;ethyl N-[8-[2-(dimethylamino)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;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate (CID 144990570) is ethyl N-[8-[2-(diethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate;ethyl N-[8-[2-(dimethylamino)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;ethyl N-[8-[2-(dimethylamino)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;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate is CCOC(=O)Nc1cc(NCCN(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1.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;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate?
The InChIKey is XEPVZEVNOVHPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2.C26H28N6O2/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;1-4-34-26(33)29-21-17-20(27-15-16-32(2)3)24-25(28-21)31-23(19-13-9-6-10-14-19)22(30-24)18-11-7-5-8-12-18/h7-16,19H,4-6,17-18H2,1-3H3,(H2,29,30,31,33,35);5-14,17H,4,15-16H2,1-3H3,(H2,27,28,29,31,33).
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-(dimethylamino)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;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate has a molecular weight of 941.15 g/mol, XLogP of 10.58, 18 rotatable bonds, 4 hydrogen bond donors, and 14 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;ethyl N-[8-[2-(dimethylamino)ethylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate is sourced from PubChem (CID 144990570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).