1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide

C22H24ClN5O2 — CID 86948313

About 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide

1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide (PubChem CID 86948313) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide
• PubChem CID: 86948313
• Molecular Formula: C22H24ClN5O2
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.16
• IUPAC Name: 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide
• SMILES: CCCC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2C)C1)c1nnc2ccccn12
• InChI: InChI=1S/C22H24ClN5O2/c1-3-6-17(21-26-25-19-7-4-5-10-27(19)21)24-22(30)15-11-20(29)28(13-15)18-12-16(23)9-8-14(18)2/h4-5,7-10,12,15,17H,3,6,11,13H2,1-2H3,(H,24,30)
• InChIKey: QLELOUYNINMKJG-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide (CID 86948313) is 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide is CCCC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2C)C1)c1nnc2ccccn12.

What is the InChIKey of 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide?

The InChIKey is QLELOUYNINMKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-3-6-17(21-26-25-19-7-4-5-10-27(19)21)24-22(30)15-11-20(29)28(13-15)18-12-16(23)9-8-14(18)2/h4-5,7-10,12,15,17H,3,6,11,13H2,1-2H3,(H,24,30).

What are the key properties of 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide?

1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methylphenyl)-5-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 86948313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).