3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide

C21H29N3O2S — CID 110264875

IUPAC3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2cc(Cc3ccccc3)cc(C)n2)C1
InChIInChI=1S/C21H29N3O2S/c1-4-23(5-2)27(25,26)24-12-11-20(16-24)21-15-19(13-17(3)22-21)14-18-9-7-6-8-10-18/h6-10,13,15,20H,4-5,11-12,14,16H2,1-3H3
InChIKeySJPUEAOGSBJOIC-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.36
Rot. Bonds7

About 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide

3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide (PubChem CID 110264875) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
PubChem CID110264875
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2cc(Cc3ccccc3)cc(C)n2)C1
InChIInChI=1S/C21H29N3O2S/c1-4-23(5-2)27(25,26)24-12-11-20(16-24)21-15-19(13-17(3)22-21)14-18-9-7-6-8-10-18/h6-10,13,15,20H,4-5,11-12,14,16H2,1-3H3
InChIKeySJPUEAOGSBJOIC-UHFFFAOYSA-N
XLogP3.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
CID 95834680
(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 124976984
4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
CID 95814484
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide
CID 124978058
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834685
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 92617091
N,N-diethyl-4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093129
N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 92616479
5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95834716
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide (CID 110264875) is 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(c2cc(Cc3ccccc3)cc(C)n2)C1.
What is the InChIKey of 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide?
The InChIKey is SJPUEAOGSBJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-4-23(5-2)27(25,26)24-12-11-20(16-24)21-15-19(13-17(3)22-21)14-18-9-7-6-8-10-18/h6-10,13,15,20H,4-5,11-12,14,16H2,1-3H3.
What are the key properties of 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide?
3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide has a molecular weight of 387.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 110264875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).