1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

C21H23N5O4S — CID 46365961

IUPAC1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccnc4)CC3)c2)no1
InChIInChI=1S/C21H23N5O4S/c1-14-5-6-17(20-23-15(2)30-25-20)12-19(14)31(28,29)26-10-7-16(8-11-26)21(27)24-18-4-3-9-22-13-18/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,24,27)
InChIKeyYXNOFWMJTBHBPN-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 46365961) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID46365961
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccnc4)CC3)c2)no1
InChIInChI=1S/C21H23N5O4S/c1-14-5-6-17(20-23-15(2)30-25-20)12-19(14)31(28,29)26-10-7-16(8-11-26)21(27)24-18-4-3-9-22-13-18/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,24,27)
InChIKeyYXNOFWMJTBHBPN-UHFFFAOYSA-N
XLogP2.79
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365908
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 50808351
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 92726855
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 46365849
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 53042046
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 92715052
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 46365933
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 50808353
N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 46366092
3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010140
(3S)-N-(2-chloro-4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 92726854
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 92726834

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (CID 46365961) is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccnc4)CC3)c2)no1.
What is the InChIKey of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is YXNOFWMJTBHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-14-5-6-17(20-23-15(2)30-25-20)12-19(14)31(28,29)26-10-7-16(8-11-26)21(27)24-18-4-3-9-22-13-18/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,24,27).
What are the key properties of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46365961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).