N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide

C21H23N5O2 — CID 87034364

About N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide

N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 87034364) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
• PubChem CID: 87034364
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
• SMILES: CC(=O)Nc1cc(C(=O)N2CCCC(c3nnc4ccccn34)C2)ccc1C
• InChI: InChI=1S/C21H23N5O2/c1-14-8-9-16(12-18(14)22-15(2)27)21(28)25-10-5-6-17(13-25)20-24-23-19-7-3-4-11-26(19)20/h3-4,7-9,11-12,17H,5-6,10,13H2,1-2H3,(H,22,27)
• InChIKey: RAZNYTIJAUKLST-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide?

The IUPAC name of N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide (CID 87034364) is N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide.

What is the SMILES notation for N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide?

The canonical SMILES for N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCCC(c3nnc4ccccn34)C2)ccc1C.

What is the InChIKey of N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide?

The InChIKey is RAZNYTIJAUKLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-8-9-16(12-18(14)22-15(2)27)21(28)25-10-5-6-17(13-25)20-24-23-19-7-3-4-11-26(19)20/h3-4,7-9,11-12,17H,5-6,10,13H2,1-2H3,(H,22,27).

What are the key properties of N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide?

N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 87034364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).