3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide

C47H55N11O6S2 — CID 159565931

IUPAC3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCCN(CC)CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.CN1CCN(CCS(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C24H28N6O3S.C23H27N5O3S/c1-29-11-13-30(14-12-29)15-16-34(32,33)20-9-7-18(8-10-20)21-17-26-23(25)22(28-21)24(31)27-19-5-3-2-4-6-19;1-3-28(4-2)14-15-32(30,31)19-12-10-17(11-13-19)20-16-25-22(24)21(27-20)23(29)26-18-8-6-5-7-9-18/h2-10,17H,11-16H2,1H3,(H2,25,26)(H,27,31);5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25)(H,26,29)
InChIKeyMHEQQYPSINMRBW-UHFFFAOYSA-N
MW934.16 g/mol
LogP5.09
Rot. Bonds16

About 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 159565931) has the molecular formula C47H55N11O6S2 and a molecular weight of 934.16 g/mol. Its IUPAC name is 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID159565931
Molecular FormulaC47H55N11O6S2
Molecular Weight934.16 g/mol
Exact Mass933.38
IUPAC Name3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCCN(CC)CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.CN1CCN(CCS(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C24H28N6O3S.C23H27N5O3S/c1-29-11-13-30(14-12-29)15-16-34(32,33)20-9-7-18(8-10-20)21-17-26-23(25)22(28-21)24(31)27-19-5-3-2-4-6-19;1-3-28(4-2)14-15-32(30,31)19-12-10-17(11-13-19)20-16-25-22(24)21(27-20)23(29)26-18-8-6-5-7-9-18/h2-10,17H,11-16H2,1H3,(H2,25,26)(H,27,31);5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25)(H,26,29)
InChIKeyMHEQQYPSINMRBW-UHFFFAOYSA-N
XLogP5.09
TPSA239.80 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.16
LogP ≤ 55.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide with MolForge

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Related Compounds

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3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10138033
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CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
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3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
3-amino-6-[2,5-dimethyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118731

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 159565931) is 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide is CCN(CC)CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.CN1CCN(CCS(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1.
What is the InChIKey of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is MHEQQYPSINMRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S.C23H27N5O3S/c1-29-11-13-30(14-12-29)15-16-34(32,33)20-9-7-18(8-10-20)21-17-26-23(25)22(28-21)24(31)27-19-5-3-2-4-6-19;1-3-28(4-2)14-15-32(30,31)19-12-10-17(11-13-19)20-16-25-22(24)21(27-20)23(29)26-18-8-6-5-7-9-18/h2-10,17H,11-16H2,1H3,(H2,25,26)(H,27,31);5-13,16H,3-4,14-15H2,1-2H3,(H2,24,25)(H,26,29).
What are the key properties of 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 934.16 g/mol, XLogP of 5.09, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[2-(diethylamino)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 159565931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).