2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C18H17F6N5O4S — CID 146525780

IUPAC2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C18H17F6N5O4S/c1-9-7-29(8-13(33-9)18(22,23)24)15-12(4-10(6-27-15)17(19,20)21)16(30)28-11-2-3-26-14(5-11)34(25,31)32/h2-6,9,13H,7-8H2,1H3,(H2,25,31,32)(H,26,28,30)/t9-,13+/m1/s1
InChIKeyTUSQYNIGVZBQCK-RNCFNFMXSA-N
MW513.42 g/mol
LogP2.55
Rot. Bonds4

About 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525780) has the molecular formula C18H17F6N5O4S and a molecular weight of 513.42 g/mol. Its IUPAC name is 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525780
Molecular FormulaC18H17F6N5O4S
Molecular Weight513.42 g/mol
Exact Mass513.09
IUPAC Name2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C18H17F6N5O4S/c1-9-7-29(8-13(33-9)18(22,23)24)15-12(4-10(6-27-15)17(19,20)21)16(30)28-11-2-3-26-14(5-11)34(25,31)32/h2-6,9,13H,7-8H2,1H3,(H2,25,31,32)(H,26,28,30)/t9-,13+/m1/s1
InChIKeyTUSQYNIGVZBQCK-RNCFNFMXSA-N
XLogP2.55
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525892
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146526013
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525761
2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525762
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146525795
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525797
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525815
5-(2-cyclopropylethynyl)-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525819
6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525857
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146526072

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525780) is 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is C[C@@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C[C@@H](C(F)(F)F)O1.
What is the InChIKey of 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is TUSQYNIGVZBQCK-RNCFNFMXSA-N. The full InChI is InChI=1S/C18H17F6N5O4S/c1-9-7-29(8-13(33-9)18(22,23)24)15-12(4-10(6-27-15)17(19,20)21)16(30)28-11-2-3-26-14(5-11)34(25,31)32/h2-6,9,13H,7-8H2,1H3,(H2,25,31,32)(H,26,28,30)/t9-,13+/m1/s1.
What are the key properties of 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 513.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).