N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H16ClF2N3O3S — CID 159402867

IUPACN-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(CS(=O)(=O)c3cc(F)ccc3F)c2C)ccn1
InChIInChI=1S/C20H16ClF2N3O3S/c1-11-15(13-5-6-24-19(7-13)26-12(2)27)9-25-20(21)16(11)10-30(28,29)18-8-14(22)3-4-17(18)23/h3-9H,10H2,1-2H3,(H,24,26,27)
InChIKeyQMSBLACVVMFTQP-UHFFFAOYSA-N
MW451.88 g/mol
LogP4.32
Rot. Bonds5

About N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 159402867) has the molecular formula C20H16ClF2N3O3S and a molecular weight of 451.88 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID159402867
Molecular FormulaC20H16ClF2N3O3S
Molecular Weight451.88 g/mol
Exact Mass451.06
IUPAC NameN-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(CS(=O)(=O)c3cc(F)ccc3F)c2C)ccn1
InChIInChI=1S/C20H16ClF2N3O3S/c1-11-15(13-5-6-24-19(7-13)26-12(2)27)9-25-20(21)16(11)10-30(28,29)18-8-14(22)3-4-17(18)23/h3-9H,10H2,1-2H3,(H,24,26,27)
InChIKeyQMSBLACVVMFTQP-UHFFFAOYSA-N
XLogP4.32
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785753
N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-4,6-dimethyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
CID 157398495
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
CID 158181315
ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 152859838
6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-4,6-dimethyl-3-pyridinyl]-2-pyridinyl]amino]-2-methylpyridine-3-carbonitrile
CID 160507085
N-[4-[5-(tert-butylsulfamoyl)-4-methyl-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293487
N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293529
N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
CID 118246523
N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 158738560
N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 149427022
N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785688
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 159402867) is N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(Cl)c(CS(=O)(=O)c3cc(F)ccc3F)c2C)ccn1.
What is the InChIKey of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is QMSBLACVVMFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O3S/c1-11-15(13-5-6-24-19(7-13)26-12(2)27)9-25-20(21)16(11)10-30(28,29)18-8-14(22)3-4-17(18)23/h3-9H,10H2,1-2H3,(H,24,26,27).
What are the key properties of N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 451.88 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159402867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).