N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide

C24H27N7O4S — CID 156817256

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)cc1
InChIInChI=1S/C24H27N7O4S/c1-16(32)29-36(34,35)20-9-5-18(6-10-20)27-24(33)22-23(25)26-15-21(28-22)17-3-7-19(8-4-17)31-13-11-30(2)12-14-31/h3-10,15H,11-14H2,1-2H3,(H2,25,26)(H,27,33)(H,29,32)
InChIKeyHHNIQIVPVCBDSG-UHFFFAOYSA-N
MW509.59 g/mol
LogP1.55
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 156817256) has the molecular formula C24H27N7O4S and a molecular weight of 509.59 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID156817256
Molecular FormulaC24H27N7O4S
Molecular Weight509.59 g/mol
Exact Mass509.18
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)cc1
InChIInChI=1S/C24H27N7O4S/c1-16(32)29-36(34,35)20-9-5-18(6-10-20)27-24(33)22-23(25)26-15-21(28-22)17-3-7-19(8-4-17)31-13-11-30(2)12-14-31/h3-10,15H,11-14H2,1-2H3,(H2,25,26)(H,27,33)(H,29,32)
InChIKeyHHNIQIVPVCBDSG-UHFFFAOYSA-N
XLogP1.55
TPSA150.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide (CID 156817256) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is HHNIQIVPVCBDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4S/c1-16(32)29-36(34,35)20-9-5-18(6-10-20)27-24(33)22-23(25)26-15-21(28-22)17-3-7-19(8-4-17)31-13-11-30(2)12-14-31/h3-10,15H,11-14H2,1-2H3,(H2,25,26)(H,27,33)(H,29,32).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 156817256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).