5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

C23H20N6O4S — CID 23076094

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccncc3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H20N6O4S/c1-16-4-6-19(7-5-16)34(31,32)29-21-23(33-15-17-3-2-10-25-13-17)28-20(14-26-21)22(30)27-18-8-11-24-12-9-18/h2-14H,15H2,1H3,(H,26,29)(H,24,27,30)
InChIKeyLIHJDJDPWUNDCN-UHFFFAOYSA-N
MW476.52 g/mol
LogP3.21
Rot. Bonds8

About 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23076094) has the molecular formula C23H20N6O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23076094
Molecular FormulaC23H20N6O4S
Molecular Weight476.52 g/mol
Exact Mass476.13
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccncc3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H20N6O4S/c1-16-4-6-19(7-5-16)34(31,32)29-21-23(33-15-17-3-2-10-25-13-17)28-20(14-26-21)22(30)27-18-8-11-24-12-9-18/h2-14H,15H2,1H3,(H,26,29)(H,24,27,30)
InChIKeyLIHJDJDPWUNDCN-UHFFFAOYSA-N
XLogP3.21
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075958
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076029
N-(4-methylpentan-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076058
N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076205
N-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23076151
4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076292
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075774
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23076094) is 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccncc3)nc2OCc2cccnc2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is LIHJDJDPWUNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S/c1-16-4-6-19(7-5-16)34(31,32)29-21-23(33-15-17-3-2-10-25-13-17)28-20(14-26-21)22(30)27-18-8-11-24-12-9-18/h2-14H,15H2,1H3,(H,26,29)(H,24,27,30).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23076094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).