2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

C19H21N5O3S — CID 86806468

IUPAC2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(-c2nc(-c3ccnc(N4CCCCC4)c3)no2)ccc1S(N)(=O)=O
InChIInChI=1S/C19H21N5O3S/c1-13-11-15(5-6-16(13)28(20,25)26)19-22-18(23-27-19)14-7-8-21-17(12-14)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,25,26)
InChIKeyPAOGJHXYZYJKHN-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 86806468) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID86806468
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCc1cc(-c2nc(-c3ccnc(N4CCCCC4)c3)no2)ccc1S(N)(=O)=O
InChIInChI=1S/C19H21N5O3S/c1-13-11-15(5-6-16(13)28(20,25)26)19-22-18(23-27-19)14-7-8-21-17(12-14)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,25,26)
InChIKeyPAOGJHXYZYJKHN-UHFFFAOYSA-N
XLogP2.74
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-difluorophenyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 99033707
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
2-[3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681960
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770201
1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770155
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
CID 56770198
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
[3-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175315
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175194
3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 53175294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 86806468) is 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is Cc1cc(-c2nc(-c3ccnc(N4CCCCC4)c3)no2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is PAOGJHXYZYJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13-11-15(5-6-16(13)28(20,25)26)19-22-18(23-27-19)14-7-8-21-17(12-14)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,25,26).
What are the key properties of 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 399.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 86806468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).