N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

C19H13F2N5O3S — CID 118249129

IUPACN-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C#N)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C19H13F2N5O3S/c1-11(27)25-19-7-12(4-5-23-19)13-6-16(17(9-22)24-10-13)26-30(28,29)18-3-2-14(20)8-15(18)21/h2-8,10,26H,1H3,(H,23,25,27)
InChIKeyIANIQKYCXPGMEL-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249129) has the molecular formula C19H13F2N5O3S and a molecular weight of 429.41 g/mol. Its IUPAC name is N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249129
Molecular FormulaC19H13F2N5O3S
Molecular Weight429.41 g/mol
Exact Mass429.07
IUPAC NameN-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C#N)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C19H13F2N5O3S/c1-11(27)25-19-7-12(4-5-23-19)13-6-16(17(9-22)24-10-13)26-30(28,29)18-3-2-14(20)8-15(18)21/h2-8,10,26H,1H3,(H,23,25,27)
InChIKeyIANIQKYCXPGMEL-UHFFFAOYSA-N
XLogP3.05
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)phenyl]acetamide
CID 2740568
1-(2,5-Difluoro-benzenesulfonyl)-7-[6-(4-methylpiperazin-1-yl)-pyridin-3-yl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazine
CID 46906670
N-(5-(3-Cyanoimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937064
N-[4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953736
N-[4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953864
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953865
(2S,4R,5S)-N-[[5-cyano-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide
CID 122489431
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664
N-[4-[benzyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 1118249
N-[5-[2-[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 60141756
N-[5-[2-[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 60142580
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)pyridin-3-yl]benzenesulfonamide
CID 90313467

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249129) is N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C#N)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.
What is the InChIKey of N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is IANIQKYCXPGMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3S/c1-11(27)25-19-7-12(4-5-23-19)13-6-16(17(9-22)24-10-13)26-30(28,29)18-3-2-14(20)8-15(18)21/h2-8,10,26H,1H3,(H,23,25,27).
What are the key properties of N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 429.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).