6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

C20H15F5N4O3S — CID 59399211

IUPAC6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H15F5N4O3S/c1-19(2,14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22)15-8-4-6-13(27-15)18(30)29-33(31,32)20(23,24)25/h3-10H,1-2H3,(H,29,30)
InChIKeyBSHYRCAOZVVIOT-UHFFFAOYSA-N
MW486.42 g/mol
LogP3.72
Rot. Bonds5

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (PubChem CID 59399211) has the molecular formula C20H15F5N4O3S and a molecular weight of 486.42 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
PubChem CID59399211
Molecular FormulaC20H15F5N4O3S
Molecular Weight486.42 g/mol
Exact Mass486.08
IUPAC Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H15F5N4O3S/c1-19(2,14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22)15-8-4-6-13(27-15)18(30)29-33(31,32)20(23,24)25/h3-10H,1-2H3,(H,29,30)
InChIKeyBSHYRCAOZVVIOT-UHFFFAOYSA-N
XLogP3.72
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide
CID 59399074
[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethylsulfonyl)azanide;platinum(2+)
CID 59399210
6-pentan-3-yl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
CID 121422706
6-(3-methylbutyl)-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
CID 122628422
6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
CID 122628424
5-[(3E,7E)-9-imino-4,8-dimethyl-6-methylidene-9-[1-(trifluoromethylsulfonyl)piperidin-4-yl]nona-1,3,7-trien-5-yl]pyridine-2-carboxamide
CID 126655729
N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-6-pentan-3-ylpyridine-2-carboxamide
CID 126764027
3-ethyl-N-propan-2-ylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 146335152
4-[2-(5-Fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]pyridine-2-carboxamide
CID 171091229
4-[2-[6-(Difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
CID 171091332
4-[2-(6-Methyl-2-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171091333
4-[2-[6-(Difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
CID 171091356

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (CID 59399211) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is CC(C)(c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The InChIKey is BSHYRCAOZVVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O3S/c1-19(2,14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22)15-8-4-6-13(27-15)18(30)29-33(31,32)20(23,24)25/h3-10H,1-2H3,(H,29,30).
What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide has a molecular weight of 486.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 59399211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).