(3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C16H19N5O2S — CID 38484906

About (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 38484906) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 38484906
• Molecular Formula: C16H19N5O2S
• Molecular Weight: 345.43 g/mol
• Exact Mass: 345.13
• IUPAC Name: (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)s1
• InChI: InChI=1S/C16H19N5O2S/c1-2-5-13-19-20-16(24-13)18-15(23)11-8-14(22)21(9-11)10-12-6-3-4-7-17-12/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,18,20,23)/t11-/m1/s1
• InChIKey: RECSBXHVYUDPDN-LLVKDONJSA-N
• XLogP: 1.87
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.43
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 38484906) is (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)s1.

What is the InChIKey of (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The InChIKey is RECSBXHVYUDPDN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-2-5-13-19-20-16(24-13)18-15(23)11-8-14(22)21(9-11)10-12-6-3-4-7-17-12/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,18,20,23)/t11-/m1/s1.

What are the key properties of (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

(3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 38484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).