2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C18H20F3N5O4S — CID 146525804

IUPAC2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1(C)CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCO1
InChIInChI=1S/C18H20F3N5O4S/c1-17(2)10-26(5-6-30-17)15-13(7-11(9-24-15)18(19,20)21)16(27)25-12-3-4-23-14(8-12)31(22,28)29/h3-4,7-9H,5-6,10H2,1-2H3,(H2,22,28,29)(H,23,25,27)
InChIKeyGODFOPLJWXQXRF-UHFFFAOYSA-N
MW459.45 g/mol
LogP2.01
Rot. Bonds4

About 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525804) has the molecular formula C18H20F3N5O4S and a molecular weight of 459.45 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525804
Molecular FormulaC18H20F3N5O4S
Molecular Weight459.45 g/mol
Exact Mass459.12
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1(C)CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCO1
InChIInChI=1S/C18H20F3N5O4S/c1-17(2)10-26(5-6-30-17)15-13(7-11(9-24-15)18(19,20)21)16(27)25-12-3-4-23-14(8-12)31(22,28)29/h3-4,7-9H,5-6,10H2,1-2H3,(H2,22,28,29)(H,23,25,27)
InChIKeyGODFOPLJWXQXRF-UHFFFAOYSA-N
XLogP2.01
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525804) is 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is CC1(C)CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GODFOPLJWXQXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O4S/c1-17(2)10-26(5-6-30-17)15-13(7-11(9-24-15)18(19,20)21)16(27)25-12-3-4-23-14(8-12)31(22,28)29/h3-4,7-9H,5-6,10H2,1-2H3,(H2,22,28,29)(H,23,25,27).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).