5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C21H23ClF3N5O4S — CID 146576895

IUPAC5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C3CCC3)c(Cl)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CC(C(F)(F)F)O1
InChIInChI=1S/C21H23ClF3N5O4S/c1-11-9-30(10-16(34-11)21(23,24)25)19-14(8-15(22)18(29-19)12-3-2-4-12)20(31)28-13-5-6-27-17(7-13)35(26,32)33/h5-8,11-12,16H,2-4,9-10H2,1H3,(H2,26,32,33)(H,27,28,31)
InChIKeyMIHPSHUOMUERLP-UHFFFAOYSA-N
MW533.96 g/mol
LogP3.45
Rot. Bonds5

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

5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146576895) has the molecular formula C21H23ClF3N5O4S and a molecular weight of 533.96 g/mol. Its IUPAC name is 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146576895
Molecular FormulaC21H23ClF3N5O4S
Molecular Weight533.96 g/mol
Exact Mass533.11
IUPAC Name5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C3CCC3)c(Cl)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CC(C(F)(F)F)O1
InChIInChI=1S/C21H23ClF3N5O4S/c1-11-9-30(10-16(34-11)21(23,24)25)19-14(8-15(22)18(29-19)12-3-2-4-12)20(31)28-13-5-6-27-17(7-13)35(26,32)33/h5-8,11-12,16H,2-4,9-10H2,1H3,(H2,26,32,33)(H,27,28,31)
InChIKeyMIHPSHUOMUERLP-UHFFFAOYSA-N
XLogP3.45
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.96
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146576895) is 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is CC1CN(c2nc(C3CCC3)c(Cl)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CC(C(F)(F)F)O1.
What is the InChIKey of 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is MIHPSHUOMUERLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N5O4S/c1-11-9-30(10-16(34-11)21(23,24)25)19-14(8-15(22)18(29-19)12-3-2-4-12)20(31)28-13-5-6-27-17(7-13)35(26,32)33/h5-8,11-12,16H,2-4,9-10H2,1H3,(H2,26,32,33)(H,27,28,31).
What are the key properties of 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 533.96 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclobutyl-2-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146576895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).