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

C24H27N5O4S — CID 23075958

IUPACN-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC3CCCCC3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17-9-11-20(12-10-17)34(31,32)29-22-24(33-16-18-6-5-13-25-14-18)28-21(15-26-22)23(30)27-19-7-3-2-4-8-19/h5-6,9-15,19H,2-4,7-8,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyUYEZGYHJTYHHHN-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.62
Rot. Bonds8

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

N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23075958) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23075958
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC3CCCCC3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17-9-11-20(12-10-17)34(31,32)29-22-24(33-16-18-6-5-13-25-14-18)28-21(15-26-22)23(30)27-19-7-3-2-4-8-19/h5-6,9-15,19H,2-4,7-8,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyUYEZGYHJTYHHHN-UHFFFAOYSA-N
XLogP3.62
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076094
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
N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075774
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
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-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23075958) is N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC3CCCCC3)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is UYEZGYHJTYHHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-17-9-11-20(12-10-17)34(31,32)29-22-24(33-16-18-6-5-13-25-14-18)28-21(15-26-22)23(30)27-19-7-3-2-4-8-19/h5-6,9-15,19H,2-4,7-8,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23075958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).