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

C16H20N6O2 — CID 156585451

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

5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 156585451) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 156585451
• Molecular Formula: C16H20N6O2
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.16
• IUPAC Name: 5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: CCCc1nc(NC(=O)C2CC(=O)N(Cc3cccnc3)C2)n[nH]1
• InChI: InChI=1S/C16H20N6O2/c1-2-4-13-18-16(21-20-13)19-15(24)12-7-14(23)22(10-12)9-11-5-3-6-17-8-11/h3,5-6,8,12H,2,4,7,9-10H2,1H3,(H2,18,19,20,21,24)
• InChIKey: JZBZXXCWVCNPTN-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 156585451) is 5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

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

The canonical SMILES for 5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCCc1nc(NC(=O)C2CC(=O)N(Cc3cccnc3)C2)n[nH]1.

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

The InChIKey is JZBZXXCWVCNPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-4-13-18-16(21-20-13)19-15(24)12-7-14(23)22(10-12)9-11-5-3-6-17-8-11/h3,5-6,8,12H,2,4,7,9-10H2,1H3,(H2,18,19,20,21,24).

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

5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 156585451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).