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

C21H23N5O2 — CID 43018498

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

1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 43018498) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 43018498
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
• SMILES: Cc1ccc(CN2CC(C(=O)NCCc3nnc4ccccn34)CC2=O)cc1
• InChI: InChI=1S/C21H23N5O2/c1-15-5-7-16(8-6-15)13-25-14-17(12-20(25)27)21(28)22-10-9-19-24-23-18-4-2-3-11-26(18)19/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,28)
• InChIKey: IHPAXLIHXATGCO-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 43018498) is 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)NCCc3nnc4ccccn34)CC2=O)cc1.

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

The InChIKey is IHPAXLIHXATGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-5-7-16(8-6-15)13-25-14-17(12-20(25)27)21(28)22-10-9-19-24-23-18-4-2-3-11-26(18)19/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,28).

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

1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43018498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).