N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide

C21H20N6O3S — CID 46286493

IUPACN-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1
InChIInChI=1S/C21H20N6O3S/c1-15(28)25-17-4-6-18(7-5-17)31(29,30)24-13-14-27-20(16-8-11-22-12-9-16)26-19-3-2-10-23-21(19)27/h2-12,24H,13-14H2,1H3,(H,25,28)
InChIKeyPPEFZTURSMEGMJ-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.43
Rot. Bonds7

About N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 46286493) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID46286493
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC NameN-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1
InChIInChI=1S/C21H20N6O3S/c1-15(28)25-17-4-6-18(7-5-17)31(29,30)24-13-14-27-20(16-8-11-22-12-9-16)26-19-3-2-10-23-21(19)27/h2-12,24H,13-14H2,1H3,(H,25,28)
InChIKeyPPEFZTURSMEGMJ-UHFFFAOYSA-N
XLogP2.43
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 50762311
4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 46286416
3-methyl-2-oxo-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]-1,3-benzoxazole-6-sulfonamide
CID 50762293
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
1-(4-chlorophenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 50788153
N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
CID 53021032
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
CID 90556439
3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286471
3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762247
N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 53021795
2,5-dimethyl-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 50762350

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide (CID 46286493) is N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1.
What is the InChIKey of N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is PPEFZTURSMEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-15(28)25-17-4-6-18(7-5-17)31(29,30)24-13-14-27-20(16-8-11-22-12-9-16)26-19-3-2-10-23-21(19)27/h2-12,24H,13-14H2,1H3,(H,25,28).
What are the key properties of N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 436.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 46286493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).