N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide

C21H15F3N6O5S — CID 59135412

IUPACN-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nnc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)nc3c2)ccn1
InChIInChI=1S/C21H15F3N6O5S/c1-25-19(31)18-11-14(8-9-26-18)34-13-4-7-16-17(10-13)27-20(29-28-16)30-36(32,33)15-5-2-12(3-6-15)35-21(22,23)24/h2-11H,1H3,(H,25,31)(H,27,29,30)
InChIKeyBTVNIYJLYGCDTR-UHFFFAOYSA-N
MW520.45 g/mol
LogP3.27
Rot. Bonds7

About N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 59135412) has the molecular formula C21H15F3N6O5S and a molecular weight of 520.45 g/mol. Its IUPAC name is N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
PubChem CID59135412
Molecular FormulaC21H15F3N6O5S
Molecular Weight520.45 g/mol
Exact Mass520.08
IUPAC NameN-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nnc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)nc3c2)ccn1
InChIInChI=1S/C21H15F3N6O5S/c1-25-19(31)18-11-14(8-9-26-18)34-13-4-7-16-17(10-13)27-20(29-28-16)30-36(32,33)15-5-2-12(3-6-15)35-21(22,23)24/h2-11H,1H3,(H,25,31)(H,27,29,30)
InChIKeyBTVNIYJLYGCDTR-UHFFFAOYSA-N
XLogP3.27
TPSA145.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-4-[[3-[(3-methylphenyl)sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 70652979
4-[[3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59135461
N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 58624211
N-methyl-4-[1-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040988
4-[[3-[[3-(fluoromethyl)-2-iodobenzoyl]amino]-1,2,4-benzotriazin-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 70931544
4-[[3-[4-(iodomethyl)-3-(trifluoromethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406247
N-methyl-4-[[3-[[3-(trifluoromethyl)benzoyl]amino]-1,2,4-benzotriazin-7-yl]oxy]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86604284
4-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
N-methyl-4-[[2-[[3-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 175678406
4-[[3-[(2,4-dichlorobenzoyl)amino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59135384
N-(7-pyridin-4-yloxy-1,2,4-benzotriazin-3-yl)-4-(trifluoromethoxy)benzamide
CID 59135428

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide (CID 59135412) is N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nnc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)nc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
The InChIKey is BTVNIYJLYGCDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O5S/c1-25-19(31)18-11-14(8-9-26-18)34-13-4-7-16-17(10-13)27-20(29-28-16)30-36(32,33)15-5-2-12(3-6-15)35-21(22,23)24/h2-11H,1H3,(H,25,31)(H,27,29,30).
What are the key properties of N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 520.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 59135412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).