2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide

C21H30N4O2S — CID 99845318

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1
InChIInChI=1S/C21H30N4O2S/c1-14-7-6-10-25(12-14)15(2)11-23-20(26)18-8-5-9-22-21(18)28-13-19-16(3)24-27-17(19)4/h5,8-9,14-15H,6-7,10-13H2,1-4H3,(H,23,26)/t14-,15+/m1/s1
InChIKeyGVFJKWVZCYIVRE-CABCVRRESA-N
MW402.56 g/mol
LogP3.83
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide (PubChem CID 99845318) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
PubChem CID99845318
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1
InChIInChI=1S/C21H30N4O2S/c1-14-7-6-10-25(12-14)15(2)11-23-20(26)18-8-5-9-22-21(18)28-13-19-16(3)24-27-17(19)4/h5,8-9,14-15H,6-7,10-13H2,1-4H3,(H,23,26)/t14-,15+/m1/s1
InChIKeyGVFJKWVZCYIVRE-CABCVRRESA-N
XLogP3.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 51953591
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide
CID 55723994
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 51191560
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-heptan-2-yl]pyridine-3-carboxamide
CID 29363996
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 46546742
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 56558588
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 34676458
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519323
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 47076919
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 29362543
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 55523986
cyclobutyl-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 56511502

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide (CID 99845318) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide is Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The InChIKey is GVFJKWVZCYIVRE-CABCVRRESA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-14-7-6-10-25(12-14)15(2)11-23-20(26)18-8-5-9-22-21(18)28-13-19-16(3)24-27-17(19)4/h5,8-9,14-15H,6-7,10-13H2,1-4H3,(H,23,26)/t14-,15+/m1/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 99845318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).