N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C21H29N5O3S — CID 55620970

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cn1
InChIInChI=1S/C21H29N5O3S/c1-24(2)20-10-7-16(14-22-20)15-23-21(27)18-13-17(30(28,29)25(3)4)8-9-19(18)26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,23,27)
InChIKeyWKOYPURBITUAJW-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.93
Rot. Bonds7

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 55620970) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID55620970
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cn1
InChIInChI=1S/C21H29N5O3S/c1-24(2)20-10-7-16(14-22-20)15-23-21(27)18-13-17(30(28,29)25(3)4)8-9-19(18)26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,23,27)
InChIKeyWKOYPURBITUAJW-UHFFFAOYSA-N
XLogP1.93
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964496
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732152
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55971669
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-(1H-benzimidazol-2-ylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112791035
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 16558784
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 55620970) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cn1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is WKOYPURBITUAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-24(2)20-10-7-16(14-22-20)15-23-21(27)18-13-17(30(28,29)25(3)4)8-9-19(18)26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,23,27).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55620970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).