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

C24H26N6O4S — CID 10052743

IUPACN-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1
InChIInChI=1S/C24H26N6O4S/c1-16(31)18-4-3-5-19(14-18)27-24(32)22-23(25)26-15-21(28-22)17-6-8-20(9-7-17)35(33,34)30-12-10-29(2)11-13-30/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26)(H,27,32)
InChIKeyZVFPKAWHKHREBE-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.12
Rot. Bonds6

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

N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide (PubChem CID 10052743) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
PubChem CID10052743
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1
InChIInChI=1S/C24H26N6O4S/c1-16(31)18-4-3-5-19(14-18)27-24(32)22-23(25)26-15-21(28-22)17-6-8-20(9-7-17)35(33,34)30-12-10-29(2)11-13-30/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26)(H,27,32)
InChIKeyZVFPKAWHKHREBE-UHFFFAOYSA-N
XLogP2.12
TPSA138.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Azd2858
CID 10138980
VE-821
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3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide (CID 10052743) is N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The InChIKey is ZVFPKAWHKHREBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-16(31)18-4-3-5-19(14-18)27-24(32)22-23(25)26-15-21(28-22)17-6-8-20(9-7-17)35(33,34)30-12-10-29(2)11-13-30/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26)(H,27,32).
What are the key properties of N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 10052743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).