N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate

C28H30ClN6O4S- — CID 57375425

IUPACN-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1cc(NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)c2ncc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C28H31ClN6O4S/c1-4-34(5-2)40(38,39)22-13-7-19(8-14-22)15-16-30-23-17-25(35(6-3)28(36)37)33-27-26(23)31-18-24(32-27)20-9-11-21(29)12-10-20/h7-14,17-18H,4-6,15-16H2,1-3H3,(H,36,37)(H,30,32,33)/p-1
InChIKeyGHAISDWPQYURRN-UHFFFAOYSA-M
MW582.11 g/mol
LogP4.20
Rot. Bonds11

About N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate

N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate (PubChem CID 57375425) has the molecular formula C28H30ClN6O4S- and a molecular weight of 582.11 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate
PubChem CID57375425
Molecular FormulaC28H30ClN6O4S-
Molecular Weight582.11 g/mol
Exact Mass581.17
IUPAC NameN-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1cc(NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)c2ncc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C28H31ClN6O4S/c1-4-34(5-2)40(38,39)22-13-7-19(8-14-22)15-16-30-23-17-25(35(6-3)28(36)37)33-27-26(23)31-18-24(32-27)20-9-11-21(29)12-10-20/h7-14,17-18H,4-6,15-16H2,1-3H3,(H,36,37)(H,30,32,33)/p-1
InChIKeyGHAISDWPQYURRN-UHFFFAOYSA-M
XLogP4.20
TPSA131.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.11
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid
CID 57375756
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4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823
4-[(4-chlorophenyl)methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide
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[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505659
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CID 43873894
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 30126219
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109261431
1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate?
The IUPAC name of N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate (CID 57375425) is N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate.
What is the SMILES notation for N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate?
The canonical SMILES for N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate is CCN(C(=O)[O-])c1cc(NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)c2ncc(-c3ccc(Cl)cc3)nc2n1.
What is the InChIKey of N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate?
The InChIKey is GHAISDWPQYURRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H31ClN6O4S/c1-4-34(5-2)40(38,39)22-13-7-19(8-14-22)15-16-30-23-17-25(35(6-3)28(36)37)33-27-26(23)31-18-24(32-27)20-9-11-21(29)12-10-20/h7-14,17-18H,4-6,15-16H2,1-3H3,(H,36,37)(H,30,32,33)/p-1.
What are the key properties of N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate?
N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate has a molecular weight of 582.11 g/mol, XLogP of 4.20, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate is sourced from PubChem (CID 57375425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).