N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide

C22H23N5O4S — CID 163271297

IUPACN-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cncc(NS(=O)(=O)C4CC4)c3)cc2)n1
InChIInChI=1S/C22H23N5O4S/c1-2-31-21-14-24-13-20(26-21)16-3-5-17(6-4-16)22(28)25-11-15-9-18(12-23-10-15)27-32(29,30)19-7-8-19/h3-6,9-10,12-14,19,27H,2,7-8,11H2,1H3,(H,25,28)
InChIKeyXGQKBRABYQBGRJ-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.77
Rot. Bonds9

About N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide

N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide (PubChem CID 163271297) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
PubChem CID163271297
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cncc(NS(=O)(=O)C4CC4)c3)cc2)n1
InChIInChI=1S/C22H23N5O4S/c1-2-31-21-14-24-13-20(26-21)16-3-5-17(6-4-16)22(28)25-11-15-9-18(12-23-10-15)27-32(29,30)19-7-8-19/h3-6,9-10,12-14,19,27H,2,7-8,11H2,1H3,(H,25,28)
InChIKeyXGQKBRABYQBGRJ-UHFFFAOYSA-N
XLogP2.77
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 163271090
N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271939
N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271743
N-[3-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-3-bicyclo[3.1.0]hexanyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 177175415
2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
CID 177175615
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271317
N-[4-[1-[4-(6-ethoxypyrazin-2-yl)anilino]propyl]pyrimidin-2-yl]cyclopropanesulfonamide
CID 176884822
N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 175474005
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 138673682
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methoxyacetamide
CID 139509948
(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
CID 163271844
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251008

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The IUPAC name of N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide (CID 163271297) is N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide is CCOc1cncc(-c2ccc(C(=O)NCc3cncc(NS(=O)(=O)C4CC4)c3)cc2)n1.
What is the InChIKey of N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The InChIKey is XGQKBRABYQBGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-2-31-21-14-24-13-20(26-21)16-3-5-17(6-4-16)22(28)25-11-15-9-18(12-23-10-15)27-32(29,30)19-7-8-19/h3-6,9-10,12-14,19,27H,2,7-8,11H2,1H3,(H,25,28).
What are the key properties of N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide has a molecular weight of 453.52 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide is sourced from PubChem (CID 163271297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).