N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide

C20H14N6O3S — CID 11676077

IUPACN-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(-n3ccc(=O)c4c(N)ncnc43)cc2)c1
InChIInChI=1S/C20H14N6O3S/c21-11-13-2-1-3-16(10-13)30(28,29)25-14-4-6-15(7-5-14)26-9-8-17(27)18-19(22)23-12-24-20(18)26/h1-10,12,25H,(H2,22,23,24)
InChIKeyJGADTANHIMMJIH-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.04
Rot. Bonds4

About N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide

N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide (PubChem CID 11676077) has the molecular formula C20H14N6O3S and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide
PubChem CID11676077
Molecular FormulaC20H14N6O3S
Molecular Weight418.44 g/mol
Exact Mass418.08
IUPAC NameN-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(-n3ccc(=O)c4c(N)ncnc43)cc2)c1
InChIInChI=1S/C20H14N6O3S/c21-11-13-2-1-3-16(10-13)30(28,29)25-14-4-6-15(7-5-14)26-9-8-17(27)18-19(22)23-12-24-20(18)26/h1-10,12,25H,(H2,22,23,24)
InChIKeyJGADTANHIMMJIH-UHFFFAOYSA-N
XLogP2.04
TPSA143.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 11569537
4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one
CID 143128155
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543957
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)urea
CID 11385235

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide?
The IUPAC name of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide (CID 11676077) is N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(-n3ccc(=O)c4c(N)ncnc43)cc2)c1.
What is the InChIKey of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide?
The InChIKey is JGADTANHIMMJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O3S/c21-11-13-2-1-3-16(10-13)30(28,29)25-14-4-6-15(7-5-14)26-9-8-17(27)18-19(22)23-12-24-20(18)26/h1-10,12,25H,(H2,22,23,24).
What are the key properties of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide?
N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide has a molecular weight of 418.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-cyanobenzenesulfonamide is sourced from PubChem (CID 11676077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).