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

C20H21N5O4S — CID 4319200

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)CC1
InChIInChI=1S/C20H21N5O4S/c1-14-8-12-25(13-9-14)30(27,28)17-4-2-15(3-5-17)18(26)22-20-24-23-19(29-20)16-6-10-21-11-7-16/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,22,24,26)
InChIKeyZCOZJNBTEIVXLI-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.80
Rot. Bonds5

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

4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4319200) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4319200
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)CC1
InChIInChI=1S/C20H21N5O4S/c1-14-8-12-25(13-9-14)30(27,28)17-4-2-15(3-5-17)18(26)22-20-24-23-19(29-20)16-6-10-21-11-7-16/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,22,24,26)
InChIKeyZCOZJNBTEIVXLI-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

3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
4-(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526883
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463675
4-((2-methylpiperidin-1-yl)sulfonyl)-N-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3613357
4-((3-methylpiperidin-1-yl)sulfonyl)-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4109598
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
2-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463672
3-{5-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanylmethyl}-pyridine
CID 645586
4-((2-methylpiperidin-1-yl)sulfonyl)-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3345839
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4319200) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ZCOZJNBTEIVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-14-8-12-25(13-9-14)30(27,28)17-4-2-15(3-5-17)18(26)22-20-24-23-19(29-20)16-6-10-21-11-7-16/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,22,24,26).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(4-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 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4319200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).