N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide

C16H18FN5O3S — CID 69482607

IUPACN-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
SMILESCN(C)S(=O)(=O)N1C=C2CN=C(NC(=O)c3cccc(F)c3)N=C2CC1
InChIInChI=1S/C16H18FN5O3S/c1-21(2)26(24,25)22-7-6-14-12(10-22)9-18-16(19-14)20-15(23)11-4-3-5-13(17)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,20,23)
InChIKeyBKNMVTKSTUVZFX-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.76
Rot. Bonds3

About N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide

N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide (PubChem CID 69482607) has the molecular formula C16H18FN5O3S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
PubChem CID69482607
Molecular FormulaC16H18FN5O3S
Molecular Weight379.42 g/mol
Exact Mass379.11
IUPAC NameN-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
SMILESCN(C)S(=O)(=O)N1C=C2CN=C(NC(=O)c3cccc(F)c3)N=C2CC1
InChIInChI=1S/C16H18FN5O3S/c1-21(2)26(24,25)22-7-6-14-12(10-22)9-18-16(19-14)20-15(23)11-4-3-5-13(17)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,20,23)
InChIKeyBKNMVTKSTUVZFX-UHFFFAOYSA-N
XLogP0.76
TPSA94.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide (CID 69482607) is N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide is CN(C)S(=O)(=O)N1C=C2CN=C(NC(=O)c3cccc(F)c3)N=C2CC1.
What is the InChIKey of N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The InChIKey is BKNMVTKSTUVZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3S/c1-21(2)26(24,25)22-7-6-14-12(10-22)9-18-16(19-14)20-15(23)11-4-3-5-13(17)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,20,23).
What are the key properties of N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide has a molecular weight of 379.42 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylsulfamoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 69482607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).