N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H16FN5O3S — CID 118249118

IUPACN-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C#N)cc3F)c2)ccn1
InChIInChI=1S/C20H16FN5O3S/c1-12-18(26-30(28,29)19-4-3-14(10-22)7-17(19)21)8-16(11-24-12)15-5-6-23-20(9-15)25-13(2)27/h3-9,11,26H,1-2H3,(H,23,25,27)
InChIKeyDCLGGJQNGFCYMF-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.22
Rot. Bonds5

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

N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249118) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249118
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC NameN-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C#N)cc3F)c2)ccn1
InChIInChI=1S/C20H16FN5O3S/c1-12-18(26-30(28,29)19-4-3-14(10-22)7-17(19)21)8-16(11-24-12)15-5-6-23-20(9-15)25-13(2)27/h3-9,11,26H,1-2H3,(H,23,25,27)
InChIKeyDCLGGJQNGFCYMF-UHFFFAOYSA-N
XLogP3.22
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Azd2858
CID 10138980
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
3-amino-6-{3-fluoro-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10301015
N-[4-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)phenyl]acetamide
CID 2740568
3-Amino-6-[2-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamide
CID 10164394
3-amino-N-(3-pyridyl)-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
CID 10177172
N-[4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953736
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249118) is N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C#N)cc3F)c2)ccn1.
What is the InChIKey of N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is DCLGGJQNGFCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-12-18(26-30(28,29)19-4-3-14(10-22)7-17(19)21)8-16(11-24-12)15-5-6-23-20(9-15)25-13(2)27/h3-9,11,26H,1-2H3,(H,23,25,27).
What are the key properties of N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 425.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-cyano-2-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).