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

C25H20F2N4O3S — CID 59399313

IUPACN-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NS(=O)(=O)c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C25H20F2N4O3S/c1-25(2,20-12-6-10-18(28-20)17-14-15-22(26)30-23(17)27)21-13-7-11-19(29-21)24(32)31-35(33,34)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,31,32)
InChIKeyJOYTUNMFTOJAIH-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.26
Rot. Bonds6

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

N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide (PubChem CID 59399313) has the molecular formula C25H20F2N4O3S and a molecular weight of 494.52 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
PubChem CID59399313
Molecular FormulaC25H20F2N4O3S
Molecular Weight494.52 g/mol
Exact Mass494.12
IUPAC NameN-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NS(=O)(=O)c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C25H20F2N4O3S/c1-25(2,20-12-6-10-18(28-20)17-14-15-22(26)30-23(17)27)21-13-7-11-19(29-21)24(32)31-35(33,34)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,31,32)
InChIKeyJOYTUNMFTOJAIH-UHFFFAOYSA-N
XLogP4.26
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.26
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

N'-(2-fluorophenyl)sulfonyl-6-phenylpyridine-2-carbohydrazide
CID 135298586
2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide
CID 57396410
2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide
CID 57401640
3-[4-[6-(4-Fluorophenyl)pyridine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 56646777
[4-(3,4-Difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
CID 26204309
6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 31814558
1-[(6-Methyl-2-pyridinyl)carbonyl]-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine
CID 32220366
2'-[(4-{[4-(Trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]-2,4'-bipyridine
CID 44611962
6'[(4-{[4-(Trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]-2,3'-bipyridine
CID 44612079
6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
CID 44629393
N-((2'-Fluoro-2,4'-bipyridin-5-yl)methyl)-5-(3-(methylsulfonyl)phenyl)picolinamide
CID 56598892
6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide
CID 59399074

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide (CID 59399313) is N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide is CC(C)(c1cccc(C(=O)NS(=O)(=O)c2ccccc2)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
The InChIKey is JOYTUNMFTOJAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3S/c1-25(2,20-12-6-10-18(28-20)17-14-15-22(26)30-23(17)27)21-13-7-11-19(29-21)24(32)31-35(33,34)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,31,32).
What are the key properties of N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide?
N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59399313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).