N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C19H18F2N6O4S — CID 163270971

IUPACN-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C(F)F)ccn3)nc2)n1
InChIInChI=1S/C19H18F2N6O4S/c1-2-31-17-11-22-10-16(26-17)12-3-4-15(24-8-12)18(28)25-9-14-7-13(5-6-23-14)27-32(29,30)19(20)21/h3-8,10-11,19H,2,9H2,1H3,(H,23,27)(H,25,28)
InChIKeyXLFPJTFJNHXXNJ-UHFFFAOYSA-N
MW464.45 g/mol
LogP2.23
Rot. Bonds9

About N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 163270971) has the molecular formula C19H18F2N6O4S and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID163270971
Molecular FormulaC19H18F2N6O4S
Molecular Weight464.45 g/mol
Exact Mass464.11
IUPAC NameN-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C(F)F)ccn3)nc2)n1
InChIInChI=1S/C19H18F2N6O4S/c1-2-31-17-11-22-10-16(26-17)12-3-4-15(24-8-12)18(28)25-9-14-7-13(5-6-23-14)27-32(29,30)19(20)21/h3-8,10-11,19H,2,9H2,1H3,(H,23,27)(H,25,28)
InChIKeyXLFPJTFJNHXXNJ-UHFFFAOYSA-N
XLogP2.23
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271317
N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 163271090
3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175521
5-(5-ethoxypyrazin-2-yl)-N-[[4-[(1-fluorocyclopropyl)sulfonylamino]-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 167386378
N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 175474005
N-[1-[3-(difluoromethylsulfonylamino)phenyl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 163271277
N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271743
ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid
CID 163271094
N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271946
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide
CID 163271841
(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
CID 163271844
3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen
CID 163271973

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 163270971) is N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C(F)F)ccn3)nc2)n1.
What is the InChIKey of N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is XLFPJTFJNHXXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O4S/c1-2-31-17-11-22-10-16(26-17)12-3-4-15(24-8-12)18(28)25-9-14-7-13(5-6-23-14)27-32(29,30)19(20)21/h3-8,10-11,19H,2,9H2,1H3,(H,23,27)(H,25,28).
What are the key properties of N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 163270971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).