6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C22H27F2N5O3S — CID 146576246

IUPAC6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C3CCC3)ccc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CC(C)C1(F)F
InChIInChI=1S/C22H27F2N5O3S/c1-13-11-29(12-14(2)22(13,23)24)20-17(6-7-18(28-20)15-4-3-5-15)21(30)27-16-8-9-26-19(10-16)33(25,31)32/h6-10,13-15H,3-5,11-12H2,1-2H3,(H2,25,31,32)(H,26,27,30)
InChIKeyHJCXZVVADHSNAI-UHFFFAOYSA-N
MW479.55 g/mol
LogP3.37
Rot. Bonds5

About 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146576246) has the molecular formula C22H27F2N5O3S and a molecular weight of 479.55 g/mol. Its IUPAC name is 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146576246
Molecular FormulaC22H27F2N5O3S
Molecular Weight479.55 g/mol
Exact Mass479.18
IUPAC Name6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C3CCC3)ccc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CC(C)C1(F)F
InChIInChI=1S/C22H27F2N5O3S/c1-13-11-29(12-14(2)22(13,23)24)20-17(6-7-18(28-20)15-4-3-5-15)21(30)27-16-8-9-26-19(10-16)33(25,31)32/h6-10,13-15H,3-5,11-12H2,1-2H3,(H2,25,31,32)(H,26,27,30)
InChIKeyHJCXZVVADHSNAI-UHFFFAOYSA-N
XLogP3.37
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146576246) is 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is CC1CN(c2nc(C3CCC3)ccc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CC(C)C1(F)F.
What is the InChIKey of 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is HJCXZVVADHSNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N5O3S/c1-13-11-29(12-14(2)22(13,23)24)20-17(6-7-18(28-20)15-4-3-5-15)21(30)27-16-8-9-26-19(10-16)33(25,31)32/h6-10,13-15H,3-5,11-12H2,1-2H3,(H2,25,31,32)(H,26,27,30).
What are the key properties of 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 479.55 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146576246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).