4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C20H21N5O4S — CID 4109598

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C1
InChIInChI=1S/C20H21N5O4S/c1-14-5-4-12-25(13-14)30(27,28)16-9-7-15(8-10-16)18(26)22-20-24-23-19(29-20)17-6-2-3-11-21-17/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,24,26)
InChIKeyIAUJOTIAZTYUJO-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.80
Rot. Bonds5

About 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4109598) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4109598
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C1
InChIInChI=1S/C20H21N5O4S/c1-14-5-4-12-25(13-14)30(27,28)16-9-7-15(8-10-16)18(26)22-20-24-23-19(29-20)17-6-2-3-11-21-17/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,24,26)
InChIKeyIAUJOTIAZTYUJO-UHFFFAOYSA-N
XLogP2.80
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-((2-methylpiperidin-1-yl)sulfonyl)-N-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3613357
4-cyano-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4097143
4-((4-methylpiperidin-1-yl)sulfonyl)-N-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4319200
4-((2-methylpiperidin-1-yl)sulfonyl)-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3345839
2-fluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4123514
4-((2,6-dimethylmorpholino)sulfonyl)-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4199184
4-((3-methylpiperidin-1-yl)sulfonyl)-N-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4319202
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5079937
3-phenyl-N-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7100775
3-fluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3352890
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-(4-piperazin-1-ylsulfonylphenyl)pyrazin-2-amine
CID 59472328
2-(4-fluorophenyl)-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 18586577

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4109598) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is IAUJOTIAZTYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-14-5-4-12-25(13-14)30(27,28)16-9-7-15(8-10-16)18(26)22-20-24-23-19(29-20)17-6-2-3-11-21-17/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,24,26).
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 427.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4109598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).