2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C23H26N4O4S2 — CID 17426922

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H26N4O4S2/c1-16-21(17(2)31-26-16)15-32-23-20(10-7-11-24-23)22(28)25-18-8-6-9-19(14-18)33(29,30)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,28)
InChIKeyLCHGHPOHIODMAX-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.41
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 17426922) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID17426922
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H26N4O4S2/c1-16-21(17(2)31-26-16)15-32-23-20(10-7-11-24-23)22(28)25-18-8-6-9-19(14-18)33(29,30)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,28)
InChIKeyLCHGHPOHIODMAX-UHFFFAOYSA-N
XLogP4.41
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 31766906
N-[3-(cyclopropanecarbonylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46546109
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 39951682
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 8011618
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096
N-(2,3-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 55374437
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 31929046
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 24644198
ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 18194394
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 25475060
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30729564
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 17426922) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is LCHGHPOHIODMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-16-21(17(2)31-26-16)15-32-23-20(10-7-11-24-23)22(28)25-18-8-6-9-19(14-18)33(29,30)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 17426922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).