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

C20H21N5O4S — CID 3613357

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C20H21N5O4S/c1-14-4-2-3-13-25(14)30(27,28)17-7-5-15(6-8-17)18(26)22-20-24-23-19(29-20)16-9-11-21-12-10-16/h5-12,14H,2-4,13H2,1H3,(H,22,24,26)
InChIKeyOTWIUEYALLAGOV-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.95
Rot. Bonds5

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

4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3613357) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3613357
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C20H21N5O4S/c1-14-4-2-3-13-25(14)30(27,28)17-7-5-15(6-8-17)18(26)22-20-24-23-19(29-20)16-9-11-21-12-10-16/h5-12,14H,2-4,13H2,1H3,(H,22,24,26)
InChIKeyOTWIUEYALLAGOV-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3613357) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is OTWIUEYALLAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-14-4-2-3-13-25(14)30(27,28)17-7-5-15(6-8-17)18(26)22-20-24-23-19(29-20)16-9-11-21-12-10-16/h5-12,14H,2-4,13H2,1H3,(H,22,24,26).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 427.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3613357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).