3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide

C22H25N5O4S — CID 50824921

IUPAC3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4ccccn4)n3)cc2)CC1
InChIInChI=1S/C22H25N5O4S/c1-16-11-14-27(15-12-16)32(29,30)18-7-5-17(6-8-18)22-25-21(31-26-22)10-9-20(28)24-19-4-2-3-13-23-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,23,24,28)
InChIKeyVYFCUKGKPYIRJB-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.12
Rot. Bonds7

About 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide

3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide (PubChem CID 50824921) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
PubChem CID50824921
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4ccccn4)n3)cc2)CC1
InChIInChI=1S/C22H25N5O4S/c1-16-11-14-27(15-12-16)32(29,30)18-7-5-17(6-8-18)22-25-21(31-26-22)10-9-20(28)24-19-4-2-3-13-23-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,23,24,28)
InChIKeyVYFCUKGKPYIRJB-UHFFFAOYSA-N
XLogP3.12
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 20933995
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 17354513
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825041
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
methyl 3-[3-[4-(4-formylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 86584785
N-(3,4-dimethylphenyl)-3-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825092
3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 50825186
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26369208
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24611954

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide (CID 50824921) is 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide is CC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4ccccn4)n3)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is VYFCUKGKPYIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-16-11-14-27(15-12-16)32(29,30)18-7-5-17(6-8-18)22-25-21(31-26-22)10-9-20(28)24-19-4-2-3-13-23-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,23,24,28).
What are the key properties of 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 455.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 50824921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).