2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C17H18F3N5O4S — CID 146525668

IUPAC2-[(2S)-2-methylmorpholin-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)CCO1
InChIInChI=1S/C17H18F3N5O4S/c1-10-9-25(4-5-29-10)15-13(6-11(8-23-15)17(18,19)20)16(26)24-12-2-3-22-14(7-12)30(21,27)28/h2-3,6-8,10H,4-5,9H2,1H3,(H2,21,27,28)(H,22,24,26)/t10-/m0/s1
InChIKeyONFNBKCGKKVHAG-JTQLQIEISA-N
MW445.42 g/mol
LogP1.62
Rot. Bonds4

About 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525668) has the molecular formula C17H18F3N5O4S and a molecular weight of 445.42 g/mol. Its IUPAC name is 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525668
Molecular FormulaC17H18F3N5O4S
Molecular Weight445.42 g/mol
Exact Mass445.10
IUPAC Name2-[(2S)-2-methylmorpholin-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)CCO1
InChIInChI=1S/C17H18F3N5O4S/c1-10-9-25(4-5-29-10)15-13(6-11(8-23-15)17(18,19)20)16(26)24-12-2-3-22-14(7-12)30(21,27)28/h2-3,6-8,10H,4-5,9H2,1H3,(H2,21,27,28)(H,22,24,26)/t10-/m0/s1
InChIKeyONFNBKCGKKVHAG-JTQLQIEISA-N
XLogP1.62
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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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
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525668) is 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2S)-2-methylmorpholin-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)CCO1.
What is the InChIKey of 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ONFNBKCGKKVHAG-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18F3N5O4S/c1-10-9-25(4-5-29-10)15-13(6-11(8-23-15)17(18,19)20)16(26)24-12-2-3-22-14(7-12)30(21,27)28/h2-3,6-8,10H,4-5,9H2,1H3,(H2,21,27,28)(H,22,24,26)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 445.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylmorpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).