N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide

C22H29N5O4S — CID 58760353

About N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide

N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 58760353) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide
• PubChem CID: 58760353
• Molecular Formula: C22H29N5O4S
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.19
• IUPAC Name: N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide
• SMILES: CSc1nnc(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2ccccn2)o1
• InChI: InChI=1S/C22H29N5O4S/c1-13(2)12-17(18(28)21-26-27-22(31-21)32-3)25-19(29)14-8-4-5-9-15(14)24-20(30)16-10-6-7-11-23-16/h6-7,10-11,13-15,17H,4-5,8-9,12H2,1-3H3,(H,24,30)(H,25,29)/t14-,15+,17+/m1/s1
• InChIKey: VIYWWPAUZXZEET-VYDXJSESSA-N
• XLogP: 2.89
• TPSA: 127.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide?

The IUPAC name of N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide (CID 58760353) is N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide is CSc1nnc(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2ccccn2)o1.

What is the InChIKey of N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide?

The InChIKey is VIYWWPAUZXZEET-VYDXJSESSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-13(2)12-17(18(28)21-26-27-22(31-21)32-3)25-19(29)14-8-4-5-9-15(14)24-20(30)16-10-6-7-11-23-16/h6-7,10-11,13-15,17H,4-5,8-9,12H2,1-3H3,(H,24,30)(H,25,29)/t14-,15+,17+/m1/s1.

What are the key properties of N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide?

N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-[[(2S)-4-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 58760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).