N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide

C21H32N6O3S — CID 146288215

IUPACN-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CC[C@@H](Cc3cc(C)nc(C)c3)C2)nn1S(=O)(=O)N(C)C
InChIInChI=1S/C21H32N6O3S/c1-14-9-19(10-15(2)22-14)11-18-7-8-26(13-18)16(3)20-12-21(23-17(4)28)27(24-20)31(29,30)25(5)6/h9-10,12,16,18H,7-8,11,13H2,1-6H3,(H,23,28)/t16?,18-/m0/s1
InChIKeyRSEDACZOZSAXIX-DAFXYXGESA-N
MW448.59 g/mol
LogP2.13
Rot. Bonds7

About N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide

N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide (PubChem CID 146288215) has the molecular formula C21H32N6O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide
PubChem CID146288215
Molecular FormulaC21H32N6O3S
Molecular Weight448.59 g/mol
Exact Mass448.23
IUPAC NameN-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CC[C@@H](Cc3cc(C)nc(C)c3)C2)nn1S(=O)(=O)N(C)C
InChIInChI=1S/C21H32N6O3S/c1-14-9-19(10-15(2)22-14)11-18-7-8-26(13-18)16(3)20-12-21(23-17(4)28)27(24-20)31(29,30)25(5)6/h9-10,12,16,18H,7-8,11,13H2,1-6H3,(H,23,28)/t16?,18-/m0/s1
InChIKeyRSEDACZOZSAXIX-DAFXYXGESA-N
XLogP2.13
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide (CID 146288215) is N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide is CC(=O)Nc1cc(C(C)N2CC[C@@H](Cc3cc(C)nc(C)c3)C2)nn1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide?
The InChIKey is RSEDACZOZSAXIX-DAFXYXGESA-N. The full InChI is InChI=1S/C21H32N6O3S/c1-14-9-19(10-15(2)22-14)11-18-7-8-26(13-18)16(3)20-12-21(23-17(4)28)27(24-20)31(29,30)25(5)6/h9-10,12,16,18H,7-8,11,13H2,1-6H3,(H,23,28)/t16?,18-/m0/s1.
What are the key properties of N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide?
N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide has a molecular weight of 448.59 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 146288215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).