2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide

C20H19F3N6O3S — CID 131970322

IUPAC2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)c1ccc(Nc2cc(C(=O)Nc3cnccc3OCC(F)(F)F)ccn2)nc1
InChIInChI=1S/C20H19F3N6O3S/c1-29(2)33(31)14-3-4-17(26-10-14)28-18-9-13(5-8-25-18)19(30)27-15-11-24-7-6-16(15)32-12-20(21,22)23/h3-11H,12H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyYYFGTXSGQMZRTH-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.39
Rot. Bonds8

About 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide

2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 131970322) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID131970322
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC Name2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESCN(C)S(=O)c1ccc(Nc2cc(C(=O)Nc3cnccc3OCC(F)(F)F)ccn2)nc1
InChIInChI=1S/C20H19F3N6O3S/c1-29(2)33(31)14-3-4-17(26-10-14)28-18-9-13(5-8-25-18)19(30)27-15-11-24-7-6-16(15)32-12-20(21,22)23/h3-11H,12H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyYYFGTXSGQMZRTH-UHFFFAOYSA-N
XLogP3.39
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272
2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118064134
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 118065152
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556610
2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556726
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
CID 136527634

Frequently Asked Questions

What is the IUPAC name of 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide (CID 131970322) is 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide is CN(C)S(=O)c1ccc(Nc2cc(C(=O)Nc3cnccc3OCC(F)(F)F)ccn2)nc1.
What is the InChIKey of 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is YYFGTXSGQMZRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c1-29(2)33(31)14-3-4-17(26-10-14)28-18-9-13(5-8-25-18)19(30)27-15-11-24-7-6-16(15)32-12-20(21,22)23/h3-11H,12H2,1-2H3,(H,27,30)(H,25,26,28).
What are the key properties of 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 480.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 131970322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).